 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Chair_STD_M11-def2SVPDr.in
 Output=28_pantolactone_Chair_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/28_pantolactone_Chair_STD/Gau-37724.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/28_pantolactone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     37725.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Chair_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 16:11:31 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Chair_STD_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.391473000000     -0.248303000000     -0.123357000000
  C                                                -0.243522000000      0.655863000000     -0.542507000000
  C                                                 0.981653000000     -0.084895000000      0.017922000000
  C                                                 0.496618000000     -1.529573000000     -0.204524000000
  O                                                -0.939721000000     -1.510078000000      0.006228000000
  O                                                -2.521298000000      0.090990000000      0.087826000000
  O                                                -0.412527000000      1.974539000000     -0.102863000000
  H                                                -0.197683000000      0.620961000000     -1.642905000000
  H                                                 0.917744000000     -2.241771000000      0.501987000000
  H                                                 0.687270000000     -1.873494000000     -1.223519000000
  H                                                -1.358566000000      2.100303000000      0.062355000000
  C                                                 1.149948000000      0.199957000000      1.512528000000
  C                                                 2.267170000000      0.215237000000     -0.742530000000
  H                                                 0.252859000000     -0.059462000000      2.077615000000
  H                                                 1.351897000000      1.256730000000      1.677591000000
  H                                                 1.982205000000     -0.382220000000      1.911899000000
  H                                                 2.149353000000      0.028869000000     -1.811924000000
  H                                                 3.090365000000     -0.403337000000     -0.378159000000
  H                                                 2.550560000000      1.260108000000     -0.609664000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          16          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1          12          12           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 16:11:32 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.520196   0.000000
     3  C    2.382937   1.537484   0.000000
     4  C    2.283228   2.331988   1.540077   0.000000
     5  O    1.346458   2.340321   2.392271   1.451849   0.000000
     6  O    1.198425   2.429952   3.508060   3.437951   2.251991
     7  O    2.428947   1.400270   2.489899   3.621558   3.525959
     8  H    2.118910   1.101905   2.155786   2.678767   2.794922
     9  H    3.114073   3.291776   2.211451   1.087994   2.057019
    10  H    2.858807   2.779892   2.197026   1.092237   2.071581
    11  H    2.356167   1.922391   3.202138   4.085209   3.635029
    12  C    3.055467   2.524436   1.530788   2.523169   3.091905
    13  C    3.739507   2.556899   1.523457   2.543357   3.717728
    14  H    2.753864   2.761000   2.184977   2.725583   2.795922
    15  H    3.610349   2.799150   2.165996   3.469487   3.962347
    16  H    3.942322   3.472115   2.162558   2.828893   3.666237
    17  H    3.932624   2.780358   2.173661   2.782806   3.900822
    18  H    4.491751   3.501959   2.169090   2.833034   4.196930
    19  H    4.248697   2.859461   2.159714   3.487856   4.498368
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.833908   0.000000
     8  H    2.945418   2.061568   0.000000
     9  H    4.176160   4.462369   3.746995   0.000000
    10  H    3.984185   4.156054   2.679801   1.779359   0.000000
    11  H    2.321623   0.968557   2.538506   4.922242   4.650804
    12  C    3.939505   2.863557   3.456893   2.652762   3.463989
    13  C    4.861518   3.268806   2.655332   3.067028   2.662749
    14  H    3.417286   3.055222   3.808967   2.772571   3.791690
    15  H    4.346026   2.607385   3.719018   3.716187   4.319314
    16  H    4.881876   3.917693   4.288929   2.564929   3.705617
    17  H    5.042607   3.642767   2.426462   3.467975   2.470403
    18  H    5.652633   4.242680   3.668791   2.979057   2.941235
    19  H    5.251388   3.089845   3.004819   4.020574   3.697043
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.465106   0.000000
    13  C    4.165006   2.516685   0.000000
    14  H    3.364899   1.091508   3.476511   0.000000
    15  H    3.266070   1.088484   2.789161   1.760757   0.000000
    16  H    4.554611   1.091366   2.735718   1.766995   1.771538
    17  H    4.484335   3.475638   1.091887   4.328164   3.784216
    18  H    5.123988   2.775586   1.092268   3.768357   3.162942
    19  H    4.054479   2.754874   1.090742   3.773879   2.582313
                   16         17         18         19
    16  H    0.000000
    17  H    3.750172   0.000000
    18  H    2.544176   1.768612   0.000000
    19  H    3.062442   1.767016   1.764096   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4218185           1.5727158           1.2192347
 Leave Link  202 at Fri Jul 23 16:11:32 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     14     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      6      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   287 symmetry adapted cartesian basis functions of A   symmetry.
 There are   269 symmetry adapted basis functions of A   symmetry.
   269 basis functions,   397 primitive gaussians,   287 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.2901348258 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 16:11:33 2021, MaxMem= 10737418240 cpu:              13.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   269 RedAO= T EigKep=  1.60D-05  NBF=   269
 NBsUse=   269 1.00D-06 EigRej= -1.00D+00 NBFU=   269
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   287   287   287   287   287 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Jul 23 16:11:34 2021, MaxMem= 10737418240 cpu:               6.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 16:11:34 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Chair_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 16:11:35 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737246043 LenY= 10737163233
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -459.770981586515    
 DIIS: error= 4.34D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -459.770981586515     IErMin= 1 ErrMin= 4.34D-03
 ErrMax= 4.34D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-02 BMatP= 2.00D-02
 IDIUse=3 WtCom= 9.57D-01 WtEn= 4.34D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.471 Goal=   None    Shift=    0.000
 GapD=    0.471 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.71D-03 MaxDP=6.21D-01              OVMax= 1.98D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.43D-03    CP:  1.09D+00
 E= -459.790444620496     Delta-E=       -0.019463033981 Rises=F Damp=F
 DIIS: error= 1.37D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -459.790444620496     IErMin= 2 ErrMin= 1.37D-03
 ErrMax= 1.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-03 BMatP= 2.00D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.37D-02
 Coeff-Com:  0.366D-01 0.963D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.361D-01 0.964D+00
 Gap=     0.442 Goal=   None    Shift=    0.000
 RMSDP=1.73D-03 MaxDP=2.29D-01 DE=-1.95D-02 OVMax= 1.05D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.53D-04    CP:  1.12D+00  1.18D+00
 E= -459.791239397888     Delta-E=       -0.000794777392 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -459.791239397888     IErMin= 3 ErrMin= 1.10D-03
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-03 BMatP= 1.36D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02
 Coeff-Com: -0.629D-01 0.479D+00 0.584D+00
 Coeff-En:   0.000D+00 0.178D+00 0.822D+00
 Coeff:     -0.622D-01 0.475D+00 0.587D+00
 Gap=     0.435 Goal=   None    Shift=    0.000
 RMSDP=3.43D-04 MaxDP=4.52D-02 DE=-7.95D-04 OVMax= 3.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.94D-04    CP:  1.12D+00  1.21D+00  1.04D+00
 E= -459.791952556273     Delta-E=       -0.000713158385 Rises=F Damp=F
 DIIS: error= 1.66D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -459.791952556273     IErMin= 4 ErrMin= 1.66D-04
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-05 BMatP= 1.08D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.66D-03
 Coeff-Com: -0.179D-01 0.546D-01 0.144D+00 0.819D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.178D-01 0.545D-01 0.144D+00 0.819D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=9.63D-05 MaxDP=6.43D-03 DE=-7.13D-04 OVMax= 1.07D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.93D-05    CP:  1.12D+00  1.21D+00  1.09D+00  1.04D+00
 E= -459.791977986609     Delta-E=       -0.000025430337 Rises=F Damp=F
 DIIS: error= 7.60D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -459.791977986609     IErMin= 5 ErrMin= 7.60D-05
 ErrMax= 7.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-06 BMatP= 2.41D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-02-0.416D-01-0.349D-01 0.261D+00 0.813D+00
 Coeff:      0.256D-02-0.416D-01-0.349D-01 0.261D+00 0.813D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=4.24D-05 MaxDP=4.95D-03 DE=-2.54D-05 OVMax= 5.94D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.77D-05    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.09D+00
 E= -459.791982200509     Delta-E=       -0.000004213900 Rises=F Damp=F
 DIIS: error= 3.92D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -459.791982200509     IErMin= 6 ErrMin= 3.92D-05
 ErrMax= 3.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.91D-07 BMatP= 3.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.261D-02-0.244D-01-0.290D-01 0.644D-01 0.397D+00 0.589D+00
 Coeff:      0.261D-02-0.244D-01-0.290D-01 0.644D-01 0.397D+00 0.589D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=8.14D-06 MaxDP=4.70D-04 DE=-4.21D-06 OVMax= 2.25D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.48D-06    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.12D+00
                    CP:  1.07D+00
 E= -459.791982835559     Delta-E=       -0.000000635050 Rises=F Damp=F
 DIIS: error= 1.01D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -459.791982835559     IErMin= 7 ErrMin= 1.01D-05
 ErrMax= 1.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.83D-08 BMatP= 7.91D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.460D-03-0.104D-02-0.426D-02-0.271D-01-0.731D-02 0.186D+00
 Coeff-Com:  0.853D+00
 Coeff:      0.460D-03-0.104D-02-0.426D-02-0.271D-01-0.731D-02 0.186D+00
 Coeff:      0.853D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=5.10D-06 MaxDP=1.74D-04 DE=-6.35D-07 OVMax= 1.09D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.04D-06    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.14D+00  1.22D+00
 E= -459.791982917994     Delta-E=       -0.000000082435 Rises=F Damp=F
 DIIS: error= 2.66D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -459.791982917994     IErMin= 8 ErrMin= 2.66D-06
 ErrMax= 2.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.97D-09 BMatP= 5.83D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-03 0.211D-02 0.173D-02-0.150D-01-0.403D-01-0.151D-01
 Coeff-Com:  0.253D+00 0.813D+00
 Coeff:     -0.118D-03 0.211D-02 0.173D-02-0.150D-01-0.403D-01-0.151D-01
 Coeff:      0.253D+00 0.813D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=1.63D-06 MaxDP=5.77D-05 DE=-8.24D-08 OVMax= 3.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.03D-06    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.17D+00  1.28D+00  1.16D+00
 E= -459.791982926742     Delta-E=       -0.000000008749 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -459.791982926742     IErMin= 9 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-09 BMatP= 6.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.962D-04 0.919D-03 0.121D-02-0.261D-02-0.135D-01-0.320D-01
 Coeff-Com: -0.726D-02 0.320D+00 0.734D+00
 Coeff:     -0.962D-04 0.919D-03 0.121D-02-0.261D-02-0.135D-01-0.320D-01
 Coeff:     -0.726D-02 0.320D+00 0.734D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=5.61D-07 MaxDP=3.15D-05 DE=-8.75D-09 OVMax= 1.21D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.61D-07    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.18D+00  1.30D+00  1.25D+00  1.10D+00
 E= -459.791982928006     Delta-E=       -0.000000001264 Rises=F Damp=F
 DIIS: error= 3.55D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -459.791982928006     IErMin=10 ErrMin= 3.55D-07
 ErrMax= 3.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.72D-11 BMatP= 1.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.230D-04 0.103D-03 0.247D-03 0.598D-03-0.154D-03-0.988D-02
 Coeff-Com: -0.257D-01 0.138D-01 0.225D+00 0.796D+00
 Coeff:     -0.230D-04 0.103D-03 0.247D-03 0.598D-03-0.154D-03-0.988D-02
 Coeff:     -0.257D-01 0.138D-01 0.225D+00 0.796D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=2.23D-07 MaxDP=1.35D-05 DE=-1.26D-09 OVMax= 5.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.18D+00  1.30D+00  1.29D+00  1.14D+00  1.15D+00
 E= -459.791982928136     Delta-E=       -0.000000000130 Rises=F Damp=F
 DIIS: error= 9.51D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -459.791982928136     IErMin=11 ErrMin= 9.51D-08
 ErrMax= 9.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-11 BMatP= 9.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.820D-05-0.993D-04-0.110D-03 0.452D-03 0.182D-02 0.169D-02
 Coeff-Com: -0.306D-02-0.405D-01-0.498D-01 0.158D+00 0.932D+00
 Coeff:      0.820D-05-0.993D-04-0.110D-03 0.452D-03 0.182D-02 0.169D-02
 Coeff:     -0.306D-02-0.405D-01-0.498D-01 0.158D+00 0.932D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=8.15D-08 MaxDP=5.91D-06 DE=-1.30D-10 OVMax= 3.11D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.34D-08    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.18D+00  1.30D+00  1.30D+00  1.17D+00  1.24D+00
                    CP:  1.20D+00
 E= -459.791982928164     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 3.86D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -459.791982928164     IErMin=12 ErrMin= 3.86D-08
 ErrMax= 3.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-12 BMatP= 1.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.351D-05-0.238D-04-0.418D-04-0.108D-04 0.239D-03 0.120D-02
 Coeff-Com:  0.315D-02-0.689D-02-0.331D-01-0.795D-01 0.134D+00 0.981D+00
 Coeff:      0.351D-05-0.238D-04-0.418D-04-0.108D-04 0.239D-03 0.120D-02
 Coeff:      0.315D-02-0.689D-02-0.331D-01-0.795D-01 0.134D+00 0.981D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=2.78D-08 MaxDP=1.49D-06 DE=-2.84D-11 OVMax= 1.61D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.72D-08    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.18D+00  1.30D+00  1.30D+00  1.17D+00  1.27D+00
                    CP:  1.31D+00  1.17D+00
 E= -459.791982928186     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -459.791982928186     IErMin=13 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-13 BMatP= 1.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-05 0.156D-04 0.178D-04-0.659D-04-0.291D-03-0.317D-03
 Coeff-Com:  0.530D-03 0.640D-02 0.826D-02-0.262D-01-0.146D+00-0.636D-02
 Coeff-Com:  0.116D+01
 Coeff:     -0.130D-05 0.156D-04 0.178D-04-0.659D-04-0.291D-03-0.317D-03
 Coeff:      0.530D-03 0.640D-02 0.826D-02-0.262D-01-0.146D+00-0.636D-02
 Coeff:      0.116D+01
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=1.33D-08 MaxDP=1.07D-06 DE=-2.17D-11 OVMax= 8.54D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.34D-09    CP:  1.12D+00  1.21D+00  1.11D+00  1.09D+00  1.15D+00
                    CP:  1.18D+00  1.30D+00  1.30D+00  1.17D+00  1.27D+00
                    CP:  1.33D+00  1.30D+00  1.35D+00
 E= -459.791982928184     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 4.92D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -459.791982928186     IErMin=14 ErrMin= 4.92D-09
 ErrMax= 4.92D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-14 BMatP= 1.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.451D-06 0.394D-05 0.605D-05-0.883D-05-0.631D-04-0.142D-03
 Coeff-Com: -0.228D-03 0.161D-02 0.405D-02 0.294D-02-0.330D-01-0.833D-01
 Coeff-Com:  0.163D+00 0.945D+00
 Coeff:     -0.451D-06 0.394D-05 0.605D-05-0.883D-05-0.631D-04-0.142D-03
 Coeff:     -0.228D-03 0.161D-02 0.405D-02 0.294D-02-0.330D-01-0.833D-01
 Coeff:      0.163D+00 0.945D+00
 Gap=     0.434 Goal=   None    Shift=    0.000
 RMSDP=3.25D-09 MaxDP=1.40D-07 DE= 1.93D-12 OVMax= 2.01D-07

 SCF Done:  E(RM11) =  -459.791982928     A.U. after   14 cycles
            NFock= 14  Conv=0.32D-08     -V/T= 2.0112
 KE= 4.547136015653D+02 PE=-2.066443121950D+03 EE= 6.546474026312D+02
 Leave Link  502 at Fri Jul 23 16:13:07 2021, MaxMem= 10737418240 cpu:            1456.7 elap:              91.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   269
 NBasis=   269 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    269 NOA=    35 NOB=    35 NVA=   234 NVB=   234

 **** Warning!!: The largest alpha MO coefficient is  0.55515138D+02

 Leave Link  801 at Fri Jul 23 16:13:08 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5754 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.37D-13 8.33D-09 XBig12= 1.00D+00 2.12D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.37D-13 8.33D-09 XBig12= 1.51D-01 4.84D-02.
     11 vectors produced by pass  2 Test12= 1.37D-13 8.33D-09 XBig12= 2.48D-02 2.97D-02.
     11 vectors produced by pass  3 Test12= 1.37D-13 8.33D-09 XBig12= 1.87D-03 8.50D-03.
     11 vectors produced by pass  4 Test12= 1.37D-13 8.33D-09 XBig12= 1.15D-04 1.48D-03.
     11 vectors produced by pass  5 Test12= 1.37D-13 8.33D-09 XBig12= 6.94D-06 3.58D-04.
     11 vectors produced by pass  6 Test12= 1.37D-13 8.33D-09 XBig12= 2.45D-07 5.63D-05.
     11 vectors produced by pass  7 Test12= 1.37D-13 8.33D-09 XBig12= 5.25D-09 8.32D-06.
     11 vectors produced by pass  8 Test12= 1.37D-13 8.33D-09 XBig12= 1.13D-10 9.44D-07.
     11 vectors produced by pass  9 Test12= 1.37D-13 8.33D-09 XBig12= 2.44D-12 1.49D-07.
      5 vectors produced by pass 10 Test12= 1.37D-13 8.33D-09 XBig12= 4.27D-14 2.15D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.909881D+02
      2 -0.431146D+01  0.790727D+02
      3 -0.166861D+01  0.736350D+00  0.723462D+02
 Isotropic polarizability for W=    0.085645       80.80 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.328817D+02  0.131324D+02  0.520230D+01
      2  -0.191002D+02 -0.620822D+01 -0.108377D+01
      3  -0.137815D+02 -0.692414D+01 -0.411853D+01
      4   0.291240D+01  0.499964D+02  0.298944D+00
      5   0.841494D+01  0.365143D+00  0.779505D+02
      6  -0.478758D+00  0.496768D+01 -0.343126D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.878326D+00 -0.100929D+01 -0.810691D+00
      2   0.317454D+01  0.738501D+00  0.341938D+02
      3  -0.131528D+02 -0.191221D+02 -0.889386D-01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.661987D-01  0.605145D+01 -0.349288D+01
      2  -0.321264D+01  0.777702D+00  0.917321D+02
      3  -0.102200D+02 -0.690966D+02 -0.843901D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.341331D+00 -0.186461D+00  0.177676D+01
      2  -0.186461D+00 -0.289207D+00 -0.938506D+00
      3   0.177676D+01 -0.938506D+00 -0.280887D+00
 OR G Eigenvalues:    -2.0022    -0.3055     2.0789  Iso=     0.0763
 Eigenvectors:
   (1)  -0.546460   0.355875   0.758112
   (2)   0.466497   0.881133  -0.077365
   (3)   0.695530  -0.311381   0.647519
 w=    0.085645 a.u., Optical Rotation Beta=      0.0763 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =       27.79 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36315 ScalPx= 6.76D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36315 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.45D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.28D-14 2.78D-09 XBig12= 1.00D+00 3.61D-01.
     30 vectors produced by pass  1 Test12= 2.28D-14 2.78D-09 XBig12= 4.19D-02 3.27D-02.
     30 vectors produced by pass  2 Test12= 2.28D-14 2.78D-09 XBig12= 2.09D-03 1.04D-02.
     30 vectors produced by pass  3 Test12= 2.28D-14 2.78D-09 XBig12= 4.16D-05 1.45D-03.
     30 vectors produced by pass  4 Test12= 2.28D-14 2.78D-09 XBig12= 6.30D-07 9.56D-05.
     30 vectors produced by pass  5 Test12= 2.28D-14 2.78D-09 XBig12= 1.02D-08 1.14D-05.
     30 vectors produced by pass  6 Test12= 2.28D-14 2.78D-09 XBig12= 1.15D-10 1.06D-06.
     30 vectors produced by pass  7 Test12= 2.28D-14 2.78D-09 XBig12= 1.02D-12 9.94D-08.
      7 vectors produced by pass  8 Test12= 2.28D-14 2.78D-09 XBig12= 8.10D-15 9.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36315 ScalPx= 1.96D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36315 ScalPx= 1.96D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36315 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.909881D+02 -0.431146D+01 -0.166861D+01
      2  -0.431146D+01  0.790727D+02  0.736350D+00
      3  -0.166861D+01  0.736350D+00  0.723462D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.878326D+00 -0.100929D+01 -0.810691D+00
      2   0.317454D+01  0.738501D+00  0.341938D+02
      3  -0.131528D+02 -0.191221D+02 -0.889386D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.328817D+02  0.131324D+02  0.520230D+01
      2  -0.191002D+02 -0.620822D+01 -0.108377D+01
      3  -0.137815D+02 -0.692414D+01 -0.411853D+01
      4   0.291240D+01  0.499964D+02  0.298944D+00
      5   0.841494D+01  0.365143D+00  0.779505D+02
      6  -0.478758D+00  0.496768D+01 -0.343126D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.723276D+01 -0.273892D+01 -0.347312D+00 -0.135545D+01 -0.125252D+01
      2  -0.273892D+01  0.546720D+00  0.122315D+00 -0.125252D+01  0.178018D-01
      3  -0.347312D+00  0.122315D+00  0.231687D+00  0.165824D+00  0.130438D+00
                 6             7             8             9            10 
      1   0.165824D+00 -0.151587D+01  0.848425D-01  0.202826D+00 -0.339687D+01
      2   0.130438D+00  0.848425D-01 -0.392383D+00 -0.355025D+00  0.272503D+01
      3  -0.648297D+00  0.202826D+00 -0.355025D+00 -0.827508D+00 -0.138011D+01
                11            12            13            14            15 
      1   0.272503D+01 -0.138011D+01  0.313364D+01  0.561592D+00 -0.118848D+00
      2  -0.142065D-01  0.439178D-01  0.561592D+00 -0.110358D+01 -0.410629D+00
      3   0.439178D-01 -0.722399D+00 -0.118848D+00 -0.410629D+00  0.204558D+01
                16            17            18            19            20 
      1  -0.104124D+01  0.683608D+00 -0.892439D+00  0.207823D+01 -0.197649D+01
      2   0.683608D+00 -0.102153D+01  0.706074D+00 -0.197649D+01  0.296592D+01
      3  -0.892439D+00  0.706074D+00  0.725256D+01  0.346808D+01  0.592941D-01
                21            22            23            24            25 
      1   0.346808D+01 -0.221110D+01  0.288112D+01 -0.180422D+00  0.408014D+01
      2   0.592941D-01  0.288112D+01  0.343078D+01  0.150902D+01 -0.808457D-01
      3  -0.630718D+00 -0.180422D+00  0.150902D+01 -0.181006D+01 -0.622994D+00
                26            27            28            29            30 
      1  -0.808457D-01 -0.622994D+00  0.176761D+01  0.283900D+00 -0.106222D+01
      2   0.118704D+01 -0.182969D+01  0.283900D+00 -0.305895D+01 -0.150848D+00
      3  -0.182969D+01 -0.622494D+01 -0.106222D+01 -0.150848D+00 -0.245790D+01
                31            32            33            34            35 
      1   0.241647D+00 -0.292254D+01  0.398279D+00 -0.100489D+01  0.196799D+00
      2  -0.292254D+01 -0.949507D+00 -0.137575D+01  0.196799D+00 -0.123535D+01
      3   0.398279D+00 -0.137575D+01  0.248696D+01 -0.181190D+01  0.373631D+01
                36            37            38            39            40 
      1  -0.181190D+01 -0.352760D+01 -0.219629D+01  0.301304D+00 -0.214990D+01
      2   0.373631D+01 -0.219629D+01 -0.548502D+00  0.310018D+00 -0.433905D+00
      3   0.374311D+01  0.301304D+00  0.310018D+00  0.723435D+00 -0.124445D+00
                41            42            43            44            45 
      1  -0.433905D+00 -0.124445D+00  0.669447D+00  0.237118D+00 -0.445686D+00
      2  -0.506127D+01  0.475407D+00  0.237118D+00  0.503588D+00 -0.144111D+01
      3   0.475407D+00 -0.846803D+00 -0.445686D+00 -0.144111D+01  0.544833D+00
                46            47            48            49            50 
      1  -0.168519D+02  0.272377D+01  0.884506D+00  0.171183D+01 -0.311835D+01
      2   0.272377D+01 -0.338500D+01 -0.193412D+00 -0.311835D+01  0.228077D+01
      3   0.884506D+00 -0.193412D+00 -0.200674D+01 -0.883851D-01  0.335243D+00
                51            52            53            54            55 
      1  -0.883851D-01  0.206345D+01 -0.247200D+00 -0.355409D+01  0.379283D+01
      2   0.335243D+00 -0.247200D+00  0.614238D+00  0.805928D+00 -0.264355D+00
      3   0.751201D+00 -0.355409D+01  0.805928D+00  0.121079D+01  0.305735D-01
                56            57            58            59            60 
      1  -0.264355D+00  0.305735D-01 -0.218814D+00 -0.160876D+00  0.279470D+00
      2   0.309734D+01  0.230332D+00 -0.160876D+00  0.624086D+01 -0.209476D+00
      3   0.230332D+00  0.999329D+00  0.279470D+00 -0.209476D+00 -0.524709D+00
                61            62            63            64            65 
      1  -0.646396D+00 -0.195155D-01  0.308726D+00  0.893936D+00 -0.391283D+00
      2  -0.195155D-01  0.153780D+00  0.113053D+01 -0.391283D+00 -0.676072D-01
      3   0.308726D+00  0.113053D+01 -0.296725D+00 -0.114500D+01  0.787514D-01
                66            67            68            69            70 
      1  -0.114500D+01 -0.534114D+00 -0.218376D+00  0.641292D-01 -0.172976D+01
      2   0.787514D-01 -0.218376D+00  0.474102D+00 -0.133026D+01 -0.689753D-02
      3   0.259806D+00  0.641292D-01 -0.133026D+01 -0.199362D+00  0.951752D-01
                71            72            73            74            75 
      1  -0.689753D-02  0.951752D-01  0.169490D+01 -0.166951D+01  0.112519D+01
      2  -0.165863D+01  0.447732D+00 -0.166951D+01  0.228948D+01 -0.673260D+00
      3   0.447732D+00 -0.936458D+01  0.112519D+01 -0.673260D+00  0.104788D+01
                76            77            78            79            80 
      1  -0.147117D+01  0.196358D+01 -0.530920D+00  0.155435D+01 -0.909041D+00
      2   0.196358D+01 -0.553946D+01  0.193991D+01 -0.909041D+00  0.325954D+01
      3  -0.530920D+00  0.193991D+01 -0.177063D+01  0.124444D+01 -0.248292D+01
                81            82            83            84            85 
      1   0.124444D+01  0.737353D+00 -0.831612D+00 -0.134924D+01 -0.519374D+00
      2  -0.248292D+01 -0.831612D+00  0.858721D+00  0.507310D+00  0.100595D+01
      3   0.204511D+01 -0.134924D+01  0.507310D+00  0.102983D+01  0.255842D+00
                86            87            88            89            90 
      1   0.100595D+01  0.255842D+00 -0.208769D+01  0.465967D+00  0.140199D+01
      2  -0.255369D+01 -0.183672D+01  0.465967D+00 -0.288204D+01 -0.350852D+01
      3  -0.183672D+01 -0.187857D+01  0.140199D+01 -0.350852D+01 -0.638041D+01
                91            92            93            94            95 
      1  -0.451912D+01  0.203403D+01  0.420924D+00  0.141013D+01 -0.117957D+01
      2   0.203403D+01 -0.361577D+01 -0.272317D+00 -0.117957D+01  0.148569D+01
      3   0.420924D+00 -0.272317D+00 -0.104842D+01 -0.173601D+00  0.108327D+00
                96            97            98            99           100 
      1  -0.173601D+00  0.867296D+00 -0.328271D+00 -0.560425D+00  0.367875D-01
      2   0.108327D+00 -0.328271D+00  0.708471D+00  0.629338D+00  0.263240D+01
      3   0.537315D+00 -0.560425D+00  0.629338D+00  0.388768D+00 -0.438123D+01
               101           102           103           104           105 
      1   0.263240D+01 -0.438123D+01  0.283712D+01 -0.252006D+01  0.388926D+00
      2  -0.199197D+01  0.331583D+00 -0.252006D+01 -0.435938D+01 -0.241478D+01
      3   0.331583D+00  0.120770D+01  0.388926D+00 -0.241478D+01  0.185062D+01
               106           107           108           109           110 
      1  -0.399033D+01  0.227532D+00  0.129327D+01 -0.114179D+01  0.247776D+01
      2   0.227532D+00 -0.126101D+01  0.174305D+01  0.247776D+01 -0.296304D+01
      3   0.129327D+01  0.174305D+01  0.376329D+01 -0.319758D+01  0.273070D+00
               111           112           113           114           115 
      1  -0.319758D+01  0.271182D+01 -0.361912D+01  0.271135D+00 -0.355524D+01
      2   0.273070D+00 -0.361912D+01 -0.434476D+01 -0.919226D+00  0.268110D+00
      3   0.138088D+01  0.271135D+00 -0.919226D+00  0.165188D+01  0.677474D+00
               116           117           118           119           120 
      1   0.268110D+00  0.677474D+00 -0.399102D+01 -0.852778D+00  0.241118D+01
      2  -0.104837D+01  0.151567D+01 -0.852778D+00 -0.836142D+00  0.244250D+00
      3   0.151567D+01  0.648097D+01  0.241118D+01  0.244250D+00 -0.357790D+01
               121           122           123           124           125 
      1  -0.982791D+00 -0.604494D+00  0.346676D+00  0.204521D+01  0.211547D+00
      2  -0.604494D+00 -0.102216D+00  0.102536D+01  0.211547D+00  0.771560D+00
      3   0.346676D+00  0.102536D+01 -0.110458D+01 -0.214142D+01 -0.624815D+00
               126           127           128           129           130 
      1  -0.214142D+01  0.836803D+00  0.969015D+00  0.943553D+00  0.146416D+01
      2  -0.624815D+00  0.969015D+00  0.117055D+01  0.387773D+00  0.163011D+01
      3   0.365669D+01  0.943553D+00  0.387773D+00  0.282287D+00  0.746902D+00
               131           132           133           134           135 
      1   0.163011D+01  0.746902D+00  0.605550D+00  0.323112D+00  0.249347D+00
      2   0.663221D+01  0.228525D+01  0.323112D+00  0.127040D+01  0.121688D+01
      3   0.228525D+01  0.241854D+01  0.249347D+00  0.121688D+01  0.815261D+00
               136           137           138           139           140 
      1   0.493031D+01 -0.178444D+01  0.293302D+01 -0.241549D+01  0.184421D+01
      2  -0.178444D+01  0.171200D+01 -0.849356D+00  0.184421D+01 -0.156183D+01
      3   0.293302D+01 -0.849356D+00  0.254300D+01 -0.124273D+01  0.145727D+01
               141           142           143           144           145 
      1  -0.124273D+01  0.198867D+01 -0.669002D+00  0.175275D+01 -0.163649D+00
      2   0.145727D+01 -0.669002D+00  0.841557D+00 -0.113186D+01 -0.409327D+00
      3  -0.205626D+01  0.175275D+01 -0.113186D+01  0.223673D+01 -0.749186D+00
               146           147           148           149           150 
      1  -0.409327D+00 -0.749186D+00 -0.722650D+00  0.505435D+00  0.141741D+00
      2   0.583652D-01 -0.425496D-01  0.505435D+00 -0.244762D-01 -0.108962D+01
      3  -0.425496D-01 -0.427339D+00  0.141741D+00 -0.108962D+01 -0.109090D+01
               151           152           153           154           155 
      1  -0.161754D+01 -0.561611D-01  0.130549D+01  0.749485D+01 -0.236385D+01
      2  -0.561611D-01 -0.111745D+01 -0.639725D+00 -0.236385D+01  0.196338D+01
      3   0.130549D+01 -0.639725D+00 -0.893397D+01  0.860375D+00 -0.308583D+00
               156           157           158           159           160 
      1   0.860375D+00 -0.381133D+01  0.252524D+01 -0.183599D+00  0.242281D+01
      2  -0.308583D+00  0.252524D+01 -0.178745D+01  0.456660D+00 -0.493902D+00
      3   0.972714D+00 -0.183599D+00  0.456660D+00 -0.104682D+01  0.105714D+01
               161           162           163           164           165 
      1  -0.493902D+00  0.105714D+01  0.209560D+01  0.163295D+01  0.233162D+00
      2   0.796183D+00 -0.745911D+00  0.163295D+01  0.181871D+01 -0.982899D-01
      3  -0.745911D+00  0.327343D+00  0.233162D+00 -0.982899D-01  0.192872D+00
               166           167           168           169           170 
      1   0.288185D+01  0.311258D+01 -0.415974D+00  0.892037D+00  0.112199D+00
      2   0.311258D+01  0.682539D+01 -0.136419D+00  0.112199D+00  0.510413D+00
      3  -0.415974D+00 -0.136419D+00  0.123491D+01  0.440312D+00  0.828067D+00
               171 
      1   0.440312D+00
      2   0.828067D+00
      3  -0.437336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.812253D+00  0.345066D+01 -0.910690D+00  0.278238D+01  0.167163D+01
      2  -0.193441D+01 -0.295750D+01 -0.103056D+02 -0.193368D+01 -0.826622D+00
      3  -0.202459D+01  0.781245D+01  0.109307D+01  0.314824D+00 -0.425791D+01
                 6             7             8             9            10 
      1   0.438594D+01  0.119558D+01  0.119445D+02 -0.197136D+01  0.248427D+00
      2   0.250842D+01 -0.131692D+02 -0.301685D+01  0.369518D+01 -0.343784D+01
      3  -0.155577D+01  0.254780D+01 -0.525082D+01  0.145796D+00  0.125871D+01
                11            12            13            14            15 
      1  -0.898326D+00 -0.250847D+01 -0.196449D+01  0.968491D+00 -0.128066D+01
      2   0.236089D+01  0.157864D+01  0.406433D+01  0.345759D+00  0.313640D+01
      3  -0.228777D+01 -0.735572D+00  0.697972D+01 -0.655732D+00  0.111256D+01
                16            17            18            19            20 
      1  -0.914593D+00  0.243225D+01 -0.155836D+01 -0.666971D+00 -0.137216D+00
      2  -0.287509D+01  0.103008D+01 -0.499273D+01  0.801118D+01 -0.265378D+00
      3  -0.833114D+00  0.209544D+01 -0.193843D+01  0.281832D+01 -0.878854D+01
                21            22            23            24            25 
      1   0.718534D+00 -0.150673D+00  0.631989D+00 -0.600177D+01  0.358459D+00
      2   0.428303D+01 -0.987841D+00  0.183767D+01 -0.237977D+01 -0.531567D+01
      3   0.117772D+00 -0.284794D+00 -0.623879D+01 -0.274849D+01  0.817586D+00
                26            27            28            29            30 
      1   0.246278D+01 -0.818372D+00  0.131841D+00  0.183458D+01 -0.448616D+01
      2  -0.252588D+01 -0.434607D+01 -0.178297D+01  0.635219D+00 -0.229109D+01
      3  -0.236663D+01  0.193636D+01 -0.882666D+01  0.116716D+01  0.570735D+00
                31            32            33            34            35 
      1   0.283569D+01 -0.364659D+01  0.525110D+01 -0.320911D+01  0.125488D+02
      2  -0.162358D+00 -0.249564D+01  0.192750D+01 -0.619734D+01  0.468024D+01
      3   0.405215D+01  0.657246D+01  0.173185D+01  0.192176D+00  0.140174D+01
                36            37            38            39            40 
      1   0.619793D+01 -0.510690D+00 -0.143489D+01 -0.153261D+00  0.131537D+01
      2   0.272538D+01 -0.285614D+00  0.116629D+01  0.619783D+01  0.386346D+00
      3   0.162985D+01  0.870120D+01 -0.244052D+01 -0.893193D+00  0.117465D+02
                41            42            43            44            45 
      1   0.148278D+01 -0.647494D+01 -0.437568D+01 -0.181770D+01  0.180729D+01
      2  -0.259214D+00 -0.798355D+00 -0.302738D+01  0.347614D+01 -0.144531D+01
      3  -0.433818D+01 -0.194253D+00 -0.294666D+01  0.437017D+00 -0.271769D+00
                46            47            48            49            50 
      1   0.122907D+01 -0.926972D+00  0.153844D+01 -0.106814D+01 -0.316502D+00
      2  -0.283649D+01  0.330523D+00  0.145990D+02  0.880471D+00 -0.577545D+00
      3   0.844343D+01 -0.193217D+02 -0.613686D+00 -0.276534D+01  0.849552D+01
                51            52            53            54            55 
      1  -0.362402D+01 -0.198691D+01  0.655090D+00  0.660810D+00  0.147987D+01
      2  -0.194334D+01  0.451924D+01  0.714234D+00 -0.431070D+01 -0.279670D+00
      3   0.819129D+00 -0.372951D+00  0.414685D+01  0.273916D+01  0.124690D+02
                56            57            58            59            60 
      1  -0.136543D+01 -0.159647D+01  0.105578D+00 -0.353240D+01 -0.615404D+01
      2   0.713828D+00  0.145513D+01 -0.627005D+00 -0.713701D+00 -0.952583D+00
      3  -0.132767D+01 -0.105038D+01  0.562570D+01  0.374331D+01  0.255732D+00
                61            62            63            64            65 
      1  -0.668818D+00  0.159901D+01 -0.207188D+01  0.272075D+00 -0.157099D+00
      2  -0.359884D+01  0.384334D+00 -0.109766D+00  0.224954D+01 -0.288808D+00
      3  -0.142955D+01  0.269675D+00  0.160209D+01  0.609877D+00 -0.967903D+00
                66            67            68            69            70 
      1   0.273550D+00 -0.428166D+00  0.621956D+00  0.794947D+00 -0.517617D+00
      2  -0.498062D+00 -0.983882D+00  0.507173D+00  0.207381D-01 -0.440528D+01
      3  -0.608192D+00  0.270712D+00  0.112054D+00 -0.404760D+00 -0.844084D+00
                71            72            73            74            75 
      1   0.377949D+01  0.465273D+01  0.270623D+01 -0.160350D+01  0.280864D+01
      2   0.287585D+00  0.349125D+01  0.811591D+00 -0.766602D+00  0.202527D+01
      3  -0.731867D+00  0.581469D+00 -0.261604D+01  0.522865D-01 -0.178827D+01
                76            77            78            79            80 
      1  -0.178020D+01  0.450991D+01 -0.536724D+01  0.301353D+01 -0.391528D+01
      2   0.218173D+00  0.182906D+01 -0.196525D+01 -0.262511D-01 -0.223040D+01
      3   0.404865D+01 -0.606654D+00 -0.211717D+00 -0.373731D+01 -0.110582D+01
                81            82            83            84            85 
      1   0.574260D+01 -0.254732D+01  0.160575D+00  0.200719D+01 -0.166297D+00
      2   0.215807D+01  0.141814D+00 -0.218168D+00  0.583279D+00 -0.521875D+00
      3  -0.102358D+01 -0.140410D+01 -0.294588D+00  0.250681D+01  0.135032D+01
                86            87            88            89            90 
      1  -0.181977D+01 -0.407251D+01  0.309811D+01 -0.280321D+01 -0.115978D+02
      2  -0.808032D+00 -0.146027D+01 -0.224980D+01 -0.238385D+01 -0.431320D+01
      3  -0.109092D+01  0.484382D+00  0.515721D+01  0.105813D+01 -0.136603D+01
                91            92            93            94            95 
      1  -0.213508D+01  0.144884D+01  0.261897D+01  0.324225D+00 -0.698866D+00
      2  -0.361169D+00  0.136583D+00  0.166256D+01  0.120925D+00  0.715222D-01
      3  -0.126528D+02 -0.458683D+00  0.135495D+01  0.144176D+01 -0.243554D+01
                96            97            98            99           100 
      1  -0.129758D+01  0.804499D+00 -0.518022D+00 -0.106763D+01  0.601280D+01
      2  -0.679155D+00 -0.346695D+00 -0.725543D+00 -0.366951D+00 -0.600157D+01
      3  -0.841469D-01  0.211560D+01 -0.335405D+00 -0.476947D+00 -0.326919D+01
               101           102           103           104           105 
      1  -0.398798D+01 -0.228392D+00 -0.520889D+01 -0.881482D+01 -0.895190D+01
      2  -0.431901D+01  0.144046D+02 -0.459425D+01  0.127817D+01  0.174477D+01
      3   0.163039D+01 -0.214104D+01  0.679316D+01  0.533304D+01  0.324987D+01
               106           107           108           109           110 
      1   0.494122D+00 -0.202906D+01  0.307629D+01 -0.123285D+01  0.306116D+01
      2   0.700557D+01  0.168092D+01  0.138491D+01 -0.109826D+02  0.274266D+01
      3  -0.149885D+01  0.220463D+01 -0.192408D+01 -0.717209D+01  0.678189D+01
               111           112           113           114           115 
      1  -0.669543D+00  0.407277D+01  0.457510D+01 -0.184613D+01  0.349538D+00
      2   0.189994D+01  0.308535D+01 -0.566468D+01  0.458484D+01 -0.502332D+01
      3  -0.141111D+01  0.155972D+02  0.112264D+02  0.156830D+01 -0.185285D+01
               116           117           118           119           120 
      1   0.228275D+01 -0.350209D+01 -0.229876D+01 -0.283208D+01  0.892747D+00
      2   0.372499D+01  0.184951D+02  0.130912D+02  0.238433D+01 -0.641017D+01
      3   0.284318D+01 -0.395723D+01 -0.123367D+00 -0.875238D+00  0.352891D+00
               121           122           123           124           125 
      1  -0.150119D+01 -0.618656D+00  0.947160D+00  0.107847D+01  0.291355D+01
      2   0.288949D+01  0.240560D+01 -0.162581D+01 -0.826410D+01 -0.121011D+01
      3   0.132185D+01 -0.118587D+00 -0.105232D+01  0.162128D-01 -0.612711D-01
               126           127           128           129           130 
      1  -0.174880D+01  0.131927D+01  0.197650D+01  0.283356D+00  0.237440D+01
      2   0.727935D+01  0.302922D+00 -0.991422D+00 -0.148290D+00 -0.217374D+01
      3   0.857480D-01 -0.696417D+00 -0.188063D+01 -0.252036D+00  0.846685D+00
               131           132           133           134           135 
      1   0.128837D+02  0.401673D+00  0.774234D+00  0.280013D+01  0.166455D+01
      2   0.588130D+00  0.261470D+01 -0.151246D+01  0.944693D+00  0.719842D+00
      3  -0.926129D+01 -0.263430D+01 -0.321709D-01 -0.156896D+01 -0.177601D+01
               136           137           138           139           140 
      1  -0.405529D+01  0.442136D+01 -0.122528D+01  0.351042D+01 -0.378008D+01
      2  -0.534821D+01  0.233655D+01  0.633918D+00  0.344997D+01 -0.133522D+01
      3   0.243469D+01 -0.441201D+01  0.152723D+01 -0.156199D+01  0.321891D+01
               141           142           143           144           145 
      1   0.141470D+01 -0.171014D+01  0.297168D+01 -0.208836D+01  0.581732D+00
      2  -0.136918D+01 -0.292669D+01 -0.146118D+00  0.503828D+00 -0.268574D+01
      3  -0.200249D+01  0.887699D+00 -0.177848D+01  0.184161D+01  0.100432D+01
               146           147           148           149           150 
      1   0.198712D+00  0.413149D-01 -0.255723D+00  0.604283D+00  0.353962D+00
      2  -0.482273D+00 -0.641092D+00 -0.877824D+00 -0.199208D+01 -0.269359D+01
      3  -0.909841D+00 -0.833349D-01 -0.381720D+00  0.238031D+00  0.248867D+01
               151           152           153           154           155 
      1  -0.332840D-01  0.405134D+01  0.270854D+01  0.189214D+01 -0.142718D+01
      2  -0.210229D+01 -0.199491D+01 -0.214726D+02  0.828559D+01 -0.319557D+01
      3   0.140596D+00  0.299114D+01  0.192572D+01  0.685250D+01 -0.773251D+01
               156           157           158           159           160 
      1   0.100169D+01 -0.173099D+01  0.110973D+01 -0.168733D+01  0.247232D+00
      2   0.559236D+01 -0.342750D+01  0.342203D+01 -0.425433D+01  0.329030D+01
      3   0.120717D+01 -0.550690D+01  0.615155D+01 -0.154323D+01  0.133320D+01
               161           162           163           164           165 
      1   0.227675D+00  0.889023D+00 -0.161425D+01 -0.178171D+01 -0.406183D+00
      2  -0.243994D+01  0.231901D+01  0.220748D+01  0.104747D+01  0.156316D+01
      3  -0.282594D+01  0.212670D+01 -0.365359D+01 -0.529394D+01  0.474818D+00
               166           167           168           169           170 
      1  -0.223108D+01 -0.620155D+01 -0.297571D+01 -0.150896D+00 -0.383495D-01
      2   0.119490D+01  0.238761D+01  0.358427D+01  0.727055D+00  0.190141D+01
      3  -0.439019D+01 -0.182387D+02 -0.115683D+00  0.339450D+00 -0.142263D+01
               171 
      1  -0.603733D+00
      2  -0.577884D+00
      3  -0.188042D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.491830D+02  0.302438D+01  0.563225D+00  0.128187D+02  0.821251D+01
      2   0.278418D+02  0.135681D+01 -0.337160D+01 -0.889821D+01 -0.108573D+02
      3   0.213412D+02 -0.438119D+01  0.280837D+01 -0.392050D+01  0.264479D+01
      4   0.102637D+02 -0.124916D+02 -0.116946D+00 -0.949272D+00  0.689063D+01
      5   0.223197D+01  0.344926D+00 -0.145656D+02 -0.972351D+00  0.510128D+00
      6  -0.513290D-02 -0.201451D+00  0.399287D+01 -0.209862D+00  0.178683D+00
                 6             7             8             9            10 
      1  -0.224988D+01  0.916059D+01 -0.225249D+01 -0.643667D+01 -0.268118D+01
      2   0.660822D+00 -0.657595D+01  0.206323D+00 -0.335757D+01  0.592856D+01
      3   0.158906D+01 -0.258464D+01  0.204617D+01  0.979424D+01 -0.324737D+01
      4   0.647770D+00 -0.620436D+00  0.299930D+01  0.135053D+01 -0.266596D+01
      5   0.831088D+01  0.373490D+01  0.813677D-01  0.614844D+01 -0.136731D+01
      6  -0.505835D+01  0.671022D+00  0.201848D+01  0.122840D+01 -0.654466D+00
                11            12            13            14            15 
      1  -0.176039D+01 -0.906886D+00  0.563329D+01 -0.305222D+00  0.209354D+01
      2   0.282413D+01 -0.171372D+00 -0.263204D+01 -0.528059D+01  0.491485D+01
      3  -0.106374D+01  0.107826D+01 -0.300125D+01  0.558581D+01 -0.700839D+01
      4  -0.173103D+00 -0.707160D-01 -0.435814D+01  0.171527D+01 -0.105730D+01
      5  -0.176556D+01  0.837181D+00 -0.217271D+01  0.240100D-01  0.320998D+01
      6  -0.140262D+01  0.203251D+01 -0.907580D+00  0.267178D+00 -0.209688D+01
                16            17            18            19            20 
      1  -0.620901D+01  0.561789D+00  0.139774D+02 -0.272427D+01 -0.315058D+01
      2   0.232124D+01 -0.341170D+01  0.145738D+02 -0.380416D+01 -0.113235D+01
      3   0.388777D+01  0.284991D+01 -0.285512D+02  0.652843D+01  0.428293D+01
      4  -0.147461D+01 -0.387220D+00 -0.254570D+01 -0.347570D+01  0.476620D+01
      5   0.256789D+00 -0.752045D+00 -0.201336D+01  0.128068D+02  0.141234D+01
      6  -0.273456D+01  0.744738D+00  0.737640D+01  0.612832D+00  0.206194D+01
                21            22            23            24            25 
      1   0.950595D+01 -0.748650D+01  0.105271D+02  0.148953D+01  0.140552D+02
      2  -0.434129D+01  0.400445D+01 -0.974761D+01 -0.139700D+00 -0.605125D+01
      3  -0.516466D+01  0.348205D+01 -0.779509D+00 -0.134983D+01 -0.800399D+01
      4   0.382381D+00  0.812086D+01  0.741109D+01  0.169896D+01  0.754444D+00
      5  -0.258212D+01  0.114642D+01  0.152660D+01 -0.449474D+01 -0.332226D+01
      6  -0.233574D+01  0.127240D+01 -0.242257D+01  0.337347D+01 -0.244758D+01
                26            27            28            29            30 
      1   0.626327D+00 -0.496749D+01 -0.114373D+01 -0.852161D+01 -0.330629D+01
      2   0.420206D+00  0.536038D+01  0.106176D+01  0.132446D+02 -0.956774D+00
      3  -0.104653D+01 -0.392890D+00  0.819633D-01 -0.472300D+01  0.426306D+01
      4   0.164030D+01 -0.524707D+01 -0.284599D+01 -0.135313D+02  0.211391D+01
      5  -0.473410D+01 -0.123905D+02 -0.392056D+01  0.958314D+00 -0.654689D+01
      6   0.269633D+01 -0.152653D+01  0.749459D+00 -0.794933D+00  0.101087D+02
                31            32            33            34            35 
      1  -0.535750D+01 -0.159203D+01  0.577858D-01 -0.249480D+01  0.114168D+01
      2   0.871198D+01  0.179186D+01  0.656486D+01 -0.204417D+01  0.766726D+01
      3  -0.335447D+01 -0.199825D+00 -0.662264D+01  0.453897D+01 -0.880894D+01
      4  -0.735365D+01  0.561337D+01 -0.287131D+01  0.225356D+01 -0.273530D+01
      5   0.385849D+00 -0.157802D+01  0.411620D+01 -0.426933D+01  0.780123D+01
      6  -0.269054D+01  0.795977D+01 -0.124202D+02  0.923321D+01 -0.177192D+02
                36            37            38            39            40 
      1   0.122920D+02  0.624470D+01  0.361253D+01  0.116112D+01 -0.250537D+01
      2  -0.101470D+02  0.763936D+00 -0.158442D+01  0.628232D+00  0.353253D+01
      3  -0.214508D+01 -0.700864D+01 -0.202810D+01 -0.178935D+01 -0.102716D+01
      4   0.109558D+02  0.100682D+02  0.180629D+02 -0.922439D+00  0.113820D+02
      5   0.704364D+01  0.144154D+01  0.473341D+00  0.911322D+01  0.620054D+00
      6  -0.129733D+02  0.395874D+00 -0.117871D+01 -0.165771D+01  0.484164D+00
                41            42            43            44            45 
      1  -0.155692D+02  0.119221D+01 -0.508592D+00  0.425884D+00 -0.501659D+01
      2   0.255767D+02 -0.890341D+00  0.379473D+00 -0.311985D+00  0.301953D+01
      3  -0.100075D+02 -0.301866D+00  0.129119D+00 -0.113899D+00  0.199706D+01
      4   0.876815D+01 -0.694188D+00 -0.126217D+01 -0.118985D+01  0.521066D+01
      5   0.979925D+00 -0.236320D+01  0.331158D+01  0.369875D+01 -0.140742D+01
      6  -0.544704D+00  0.105191D+02  0.150238D+01  0.917960D+01 -0.175269D+01
                46            47            48            49            50 
      1   0.975662D+02 -0.107168D+02 -0.321910D+01 -0.101946D+02  0.878636D+01
      2  -0.557550D+02  0.628200D+01  0.298799D+01  0.601754D+01 -0.668568D+00
      3  -0.418112D+02  0.443484D+01  0.231106D+00  0.417702D+01 -0.811779D+01
      4  -0.822556D+01  0.227172D+02  0.634095D+00  0.214578D+02 -0.797588D+01
      5  -0.216687D+01  0.377680D+00  0.241968D+02  0.857206D+00 -0.116320D+01
      6   0.314898D+00  0.501242D+00 -0.231495D+01 -0.650363D+00 -0.349434D+00
                51            52            53            54            55 
      1   0.755950D+00 -0.882101D+01  0.152970D+01  0.125105D+02 -0.729366D+00
      2  -0.335355D+00  0.621214D+01 -0.374316D+00 -0.116475D+02 -0.861390D+00
      3  -0.420595D+00  0.260888D+01 -0.115538D+01 -0.862990D+00  0.159076D+01
      4  -0.219892D+01  0.130302D+01 -0.322944D+01 -0.150609D+01  0.143469D+02
      5  -0.474413D+01  0.238486D+02 -0.372304D+01 -0.727013D+01  0.387102D+00
      6   0.527989D+01 -0.376554D+00  0.446937D+01  0.428132D-01 -0.174391D+01
                56            57            58            59            60 
      1  -0.323668D+01  0.552553D+00 -0.232193D+01 -0.232363D+02 -0.167814D+01
      2   0.689668D+01  0.981505D+00  0.146534D+01  0.374865D+02 -0.331552D+01
      3  -0.366000D+01 -0.153406D+01  0.856593D+00 -0.142501D+02  0.499366D+01
      4  -0.252898D+01 -0.174099D+01  0.540092D+01 -0.434133D+01  0.108463D+01
      5  -0.927824D+00  0.295977D+01  0.552711D+00  0.568338D-01 -0.216563D+01
      6   0.497277D+00  0.144450D+01  0.121700D+01 -0.209797D+01  0.974268D+01
                61            62            63            64            65 
      1   0.192817D+00 -0.572559D+00 -0.693313D+01 -0.398569D+00  0.822020D+00
      2   0.352073D+00  0.312957D+01  0.120761D+01 -0.415353D+01 -0.308806D+00
      3  -0.544890D+00 -0.255701D+01  0.572552D+01  0.455210D+01 -0.513214D+00
      4  -0.132475D+01  0.962052D+00  0.681891D-01  0.113334D+01  0.174192D+01
      5   0.298238D+01 -0.123317D+01  0.304287D+00  0.393332D+00 -0.323212D+00
      6   0.575028D+00  0.920664D+01 -0.740048D-03 -0.147265D+01  0.181714D+00
                66            67            68            69            70 
      1   0.447456D+00 -0.531593D-01 -0.376223D+01  0.957664D+00  0.169025D+01
      2  -0.525824D-01  0.513221D+00  0.146269D+00 -0.335941D+01  0.142800D+00
      3  -0.394873D+00 -0.460062D+00  0.361596D+01  0.240175D+01 -0.183305D+01
      4  -0.152758D+01  0.170956D+01 -0.387569D-01  0.686696D+00 -0.141266D+01
      5   0.638904D+01  0.337700D+00  0.388470D+00  0.122021D+00  0.555982D+01
      6   0.551894D-02  0.191798D+00 -0.207024D+01  0.639055D+01  0.603666D+00
                71            72            73            74            75 
      1   0.321108D+01 -0.209231D+02  0.689450D+00  0.266753D+01 -0.215527D+00
      2  -0.250709D+01 -0.193901D+02  0.438481D+01 -0.875587D+01  0.168241D+01
      3  -0.703987D+00  0.403132D+02 -0.507426D+01  0.608835D+01 -0.146688D+01
      4   0.145887D+01  0.158422D+01 -0.929672D+01  0.127013D+02 -0.545505D+01
      5   0.155489D+00  0.412675D+01  0.332351D+01 -0.289854D+01  0.382139D+01
      6   0.610408D+01 -0.115741D+02 -0.556501D+01  0.407360D+01 -0.466932D+01
                76            77            78            79            80 
      1   0.377122D+01 -0.148213D+02  0.513387D+01 -0.333707D+00  0.846606D+01
      2  -0.816176D+01  0.278101D+02 -0.918795D+01  0.216694D+01 -0.141958D+02
      3   0.439054D+01 -0.129888D+02  0.405407D+01 -0.183323D+01  0.572971D+01
      4   0.965685D+01 -0.142901D+02  0.492439D+01 -0.712552D+01  0.796313D+01
      5  -0.219657D+01  0.365984D+01 -0.338142D+01  0.422192D+01 -0.490528D+01
      6   0.331064D+01 -0.123259D+02  0.101378D+02 -0.582025D+01  0.142132D+02
                81            82            83            84            85 
      1  -0.775398D+01 -0.845821D+00  0.122910D+01  0.115940D+00  0.244497D+01
      2   0.742232D+01  0.254881D+00 -0.255256D+01  0.293787D+00 -0.356079D+01
      3   0.331666D+00  0.590941D+00  0.132345D+01 -0.409727D+00  0.111583D+01
      4  -0.697070D+01 -0.354618D+01  0.668219D+01  0.515900D+01  0.469955D+01
      5   0.440093D+01 -0.324483D+01  0.286587D+01  0.625736D+01  0.150396D+01
      6  -0.107685D+02  0.580470D+01 -0.235800D+01 -0.428905D+01 -0.194724D+01
                86            87            88            89            90 
      1  -0.929460D+01 -0.690177D+01  0.119140D+01 -0.110424D+02 -0.164734D+02
      2   0.108931D+02  0.632927D+01  0.110316D+01  0.825904D+01  0.305192D+01
      3  -0.159847D+01  0.572506D+00 -0.229456D+01  0.278336D+01  0.134215D+02
      4  -0.572138D+01 -0.275990D+01  0.612412D+01 -0.528773D+01 -0.720736D+01
      5  -0.308855D+01 -0.294513D+01  0.707260D+01 -0.583381D+01 -0.100667D+02
      6   0.106217D+02  0.122612D+02 -0.620295D+01  0.186178D+02  0.264670D+02
                91            92            93            94            95 
      1   0.613718D+01  0.234695D+01 -0.725890D+00 -0.765264D+00 -0.735851D+00
      2   0.284804D+01 -0.985646D+01 -0.792486D+00 -0.298851D+01  0.553286D+01
      3  -0.898522D+01  0.750951D+01  0.151838D+01  0.375377D+01 -0.479701D+01
      4  -0.201314D+02  0.148002D+02  0.225154D+01  0.736995D+01 -0.645410D+01
      5  -0.624233D+00  0.532068D+00  0.207189D+01  0.134383D+00 -0.463514D+00
      6   0.195996D+01 -0.503564D+00 -0.375486D+01 -0.619024D+00  0.389205D+00
                96            97            98            99           100 
      1   0.985009D-01 -0.171854D+00 -0.984992D+00 -0.533374D+00  0.478676D+01
      2   0.220528D+00 -0.811561D+00  0.179121D+01  0.240093D+00  0.885111D+01
      3  -0.319029D+00  0.983415D+00 -0.806220D+00  0.293280D+00 -0.136379D+02
      4  -0.830820D+00  0.295356D+01 -0.210101D+01 -0.279140D+01  0.815554D+01
      5  -0.909350D+00  0.302001D+01 -0.194575D+01 -0.795330D+00 -0.992285D+01
      6   0.213144D+01 -0.252146D+01  0.323318D+01  0.159578D+01  0.906122D+01
               101           102           103           104           105 
      1   0.884394D+01 -0.144545D+02  0.107885D+02 -0.936961D+00  0.146926D+01
      2  -0.607559D+01  0.314728D+01 -0.866020D+01 -0.567880D+00 -0.740835D+01
      3  -0.276835D+01  0.113072D+02 -0.212828D+01  0.150484D+01  0.593909D+01
      4  -0.557960D+01  0.278054D+01 -0.791938D+01 -0.112361D+02 -0.744815D+01
      5   0.929779D+01 -0.125088D+02  0.100869D+02 -0.121221D+02  0.543493D+01
      6  -0.707272D+01  0.149917D+01 -0.939242D+01 -0.129329D+02 -0.725490D+01
               106           107           108           109           110 
      1  -0.134632D+02 -0.913600D-01 -0.362601D+01 -0.114523D+02  0.161131D+02
      2   0.234973D+01 -0.625428D+01 -0.636333D+01  0.901453D+00 -0.928073D+01
      3   0.111134D+02  0.634564D+01  0.998935D+01  0.105509D+02 -0.683237D+01
      4   0.195342D+01 -0.442008D+01  0.528583D+01  0.153589D+02 -0.157776D+02
      5  -0.105783D+02  0.507162D+01  0.127054D+02 -0.165753D+02 -0.613291D+00
      6   0.201276D+01 -0.523116D+01  0.710169D+01 -0.388296D+01  0.305446D+01
               111           112           113           114           115 
      1  -0.149996D+02  0.202544D+02 -0.151927D+02  0.444426D+01 -0.200249D+02
      2   0.887576D+01 -0.139265D+02  0.292926D-01  0.261769D+00  0.865004D+01
      3   0.612384D+01 -0.632796D+01  0.151634D+02 -0.470603D+01  0.113749D+02
      4   0.145954D+01 -0.223034D+02 -0.219923D+02 -0.375792D+01  0.230314D+01
      5   0.778099D+01 -0.391869D+00 -0.221233D+01  0.641615D+01  0.649420D+01
      6   0.254017D+00  0.466350D+01  0.505894D+01  0.154430D+01  0.706951D+00
               116           117           118           119           120 
      1   0.490177D+01  0.149827D+02 -0.780485D+01 -0.227520D+01  0.128342D+02
      2  -0.934992D+00  0.666159D+01 -0.292269D+01  0.517855D+00  0.520915D+01
      3  -0.396678D+01 -0.216443D+02  0.107275D+02  0.175735D+01 -0.180434D+02
      4  -0.593178D+01  0.753594D+01 -0.129626D+01  0.113883D+01  0.260604D+00
      5   0.638697D+01  0.233792D+02 -0.111286D+02 -0.274291D+01  0.671283D+01
      6   0.165790D+01 -0.211349D+01 -0.297799D+01 -0.389635D+01  0.138062D+01
               121           122           123           124           125 
      1  -0.304561D+01 -0.361574D+01  0.302043D+01  0.916426D+01  0.192433D+01
      2   0.107104D+01  0.672128D+00  0.183560D+01  0.318169D+01  0.136674D+01
      3   0.197457D+01  0.294361D+01 -0.485603D+01 -0.123460D+02 -0.329107D+01
      4   0.196012D+01  0.104002D+01  0.980953D+00  0.472208D+00  0.584349D+00
      5  -0.305522D+01 -0.443754D+00 -0.428234D+00  0.769505D+01  0.248474D+00
      6  -0.263285D+01 -0.120204D+01  0.596102D+01  0.127270D+01  0.484052D+01
               126           127           128           129           130 
      1  -0.144649D+02  0.124828D+01  0.154216D+01  0.204737D+01  0.205297D+01
      2  -0.738652D+01 -0.859543D+00  0.429480D+00 -0.115452D+01  0.135449D+00
      3   0.218514D+02 -0.388735D+00 -0.197164D+01 -0.892843D+00 -0.218842D+01
      4  -0.100747D+01  0.438022D+01  0.754164D+01  0.208747D+01  0.915755D+01
      5  -0.520598D+01  0.466453D+01  0.368872D+01  0.526289D+01  0.592774D+01
      6  -0.266447D+01  0.300919D+01  0.442723D+01  0.204367D+01  0.631773D+01
               131           132           133           134           135 
      1  -0.877109D+01 -0.625309D+01  0.734384D+00 -0.415581D+01 -0.389509D+01
      2   0.132511D+02 -0.223133D+00 -0.820090D+00  0.898175D-01  0.582983D+00
      3  -0.448001D+01  0.647622D+01  0.857056D-01  0.406599D+01  0.331211D+01
      4   0.190829D+02  0.687099D+01  0.959731D+00  0.365483D+01  0.339621D+01
      5   0.932580D+01  0.763940D+01  0.391296D+01  0.389533D+01  0.248419D+01
      6   0.240961D+02  0.125762D+02  0.185892D+01  0.945868D+01  0.626828D+01
               136           137           138           139           140 
      1   0.185889D+02 -0.542244D+01  0.566914D+01 -0.730365D+01  0.210254D+01
      2  -0.166956D+02  0.404452D+01 -0.108917D+02  0.582665D+01 -0.136837D+01
      3  -0.189329D+01  0.137792D+01  0.522258D+01  0.147700D+01 -0.734166D+00
      4  -0.810260D+01  0.796044D+01 -0.373652D+01  0.874057D+01 -0.734254D+01
      5   0.247282D+02 -0.849192D+01  0.193006D+02 -0.115546D+02  0.951238D+01
      6  -0.731348D+01  0.723811D+01 -0.446259D+01  0.778274D+01 -0.708567D+01
               141           142           143           144           145 
      1   0.412306D+00  0.368628D+01  0.464335D+00  0.434388D+00 -0.265570D+00
      2   0.549342D+01 -0.797364D+01  0.350185D+01 -0.934925D+01 -0.225602D+01
      3  -0.590572D+01  0.428736D+01 -0.396618D+01  0.891486D+01  0.252159D+01
      4   0.556239D+01 -0.256528D+01  0.323486D+01 -0.426234D+01 -0.219717D+01
      5  -0.996849D+01  0.147987D+02 -0.613150D+01  0.140028D+02 -0.245963D+01
      6   0.743857D+01 -0.389930D+01  0.513438D+01 -0.588913D+01  0.696441D+00
               146           147           148           149           150 
      1  -0.255471D+01 -0.498386D+01 -0.394749D+01 -0.837967D+00 -0.186874D+01
      2   0.141382D+01  0.194660D+01  0.264055D+01 -0.619573D+00 -0.153878D+01
      3   0.114089D+01  0.303725D+01  0.130694D+01  0.145754D+01  0.340752D+01
      4   0.180313D+01 -0.194120D+00  0.395614D+01  0.231299D+00 -0.458425D+01
      5   0.603326D+00  0.466912D+01  0.179788D+01 -0.428437D+01 -0.459830D+01
      6   0.412623D+00  0.721338D-01 -0.104134D+01  0.126315D+01  0.608266D+01
               151           152           153           154           155 
      1  -0.620443D+01 -0.180657D+01 -0.153468D+02  0.513631D+02 -0.154312D+02
      2   0.642637D+01 -0.802679D+00 -0.187147D+02 -0.238244D+02  0.633561D+01
      3  -0.221935D+00  0.260925D+01  0.340615D+02 -0.275388D+02  0.909564D+01
      4  -0.570897D+00 -0.503366D+01 -0.358399D+01 -0.166654D+02  0.143373D+02
      5   0.119426D+02 -0.276427D+01 -0.383979D+02  0.236653D+00 -0.234801D+00
      6   0.211564D+00  0.601369D+01  0.406216D+00  0.272050D+01 -0.237815D+01
               156           157           158           159           160 
      1   0.627976D+01 -0.229855D+02  0.124783D+02 -0.203110D+01  0.147013D+02
      2  -0.226466D+01  0.982722D+01 -0.175569D+01 -0.309784D+00 -0.645954D+01
      3  -0.401510D+01  0.131583D+02 -0.107226D+02  0.234089D+01 -0.824172D+01
      4  -0.211109D+01  0.184205D+02 -0.128013D+02  0.288470D+01 -0.390366D+01
      5   0.713826D+01  0.972634D+00  0.112046D+01 -0.624002D+01  0.731668D+01
      6  -0.246381D+00 -0.259119D+01  0.121892D+01  0.116426D+01 -0.634128D+00
               161           162           163           164           165 
      1  -0.324053D+01  0.491504D+01  0.119216D+02  0.711938D+01  0.141008D+01
      2   0.563657D+00 -0.410712D+01 -0.236279D+01 -0.924431D+00 -0.643314D+00
      3   0.267687D+01 -0.807917D+00 -0.955878D+01 -0.619495D+01 -0.766768D+00
      4   0.513268D+01 -0.458898D+01  0.104308D+02  0.149016D+02 -0.517285D+00
      5  -0.430183D+01  0.304433D+01 -0.472048D+00 -0.181999D+01  0.203833D+01
      6   0.732348D+00 -0.220164D+00 -0.170948D+01 -0.266169D+01  0.896893D+00
               166           167           168           169           170 
      1   0.110768D+02  0.384931D+01 -0.633482D+00  0.476740D+01  0.402848D+00
      2  -0.666608D+00  0.131060D+02  0.140900D+01 -0.143704D+01  0.130625D+01
      3  -0.104102D+02 -0.169553D+02 -0.775519D+00 -0.333036D+01 -0.170910D+01
      4   0.218395D+02  0.371297D+02 -0.807309D+00  0.118279D+01  0.268569D+01
      5  -0.398006D+01 -0.174859D+01  0.698910D+01  0.298920D+01  0.467411D+01
      6  -0.422618D+01 -0.928587D+01  0.457342D+01  0.167712D+01  0.370202D+01
               171 
      1  -0.972260D+00
      2   0.112073D+00
      3   0.860187D+00
      4   0.432371D+01
      5  -0.176127D+01
      6  -0.267061D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 16:27:03 2021, MaxMem= 10737418240 cpu:           13345.1 elap:             835.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52376 -19.48254 -19.47120 -10.58828 -10.51752
 Alpha  occ. eigenvalues --  -10.51723 -10.47859 -10.44875 -10.44169  -1.25762
 Alpha  occ. eigenvalues --   -1.17793  -1.16254  -0.98013  -0.87122  -0.84859
 Alpha  occ. eigenvalues --   -0.83890  -0.72346  -0.70518  -0.66593  -0.64868
 Alpha  occ. eigenvalues --   -0.61100  -0.60103  -0.58197  -0.55990  -0.55631
 Alpha  occ. eigenvalues --   -0.54191  -0.51378  -0.51156  -0.49660  -0.47868
 Alpha  occ. eigenvalues --   -0.46427  -0.45587  -0.42680  -0.41083  -0.39925
 Alpha virt. eigenvalues --    0.03500   0.05295   0.05682   0.06400   0.07535
 Alpha virt. eigenvalues --    0.08821   0.09112   0.10464   0.11074   0.11486
 Alpha virt. eigenvalues --    0.13633   0.14393   0.14678   0.15564   0.16037
 Alpha virt. eigenvalues --    0.16765   0.17723   0.18138   0.19858   0.20537
 Alpha virt. eigenvalues --    0.21192   0.21459   0.22441   0.23399   0.24011
 Alpha virt. eigenvalues --    0.24712   0.25317   0.26651   0.27409   0.28253
 Alpha virt. eigenvalues --    0.29522   0.29826   0.30690   0.32137   0.32428
 Alpha virt. eigenvalues --    0.33192   0.33744   0.34541   0.35264   0.35734
 Alpha virt. eigenvalues --    0.36051   0.36300   0.36827   0.37720   0.38238
 Alpha virt. eigenvalues --    0.38628   0.39074   0.39696   0.40225   0.40446
 Alpha virt. eigenvalues --    0.40743   0.41943   0.42120   0.43342   0.44137
 Alpha virt. eigenvalues --    0.44406   0.45082   0.46323   0.46780   0.47475
 Alpha virt. eigenvalues --    0.48113   0.48448   0.49345   0.50152   0.50441
 Alpha virt. eigenvalues --    0.51655   0.52130   0.52403   0.53221   0.53624
 Alpha virt. eigenvalues --    0.54282   0.54844   0.55445   0.56364   0.56898
 Alpha virt. eigenvalues --    0.57634   0.58021   0.59047   0.59337   0.59654
 Alpha virt. eigenvalues --    0.61073   0.61325   0.62514   0.62884   0.64849
 Alpha virt. eigenvalues --    0.65126   0.65677   0.66971   0.67995   0.68528
 Alpha virt. eigenvalues --    0.69920   0.70428   0.71073   0.72530   0.73628
 Alpha virt. eigenvalues --    0.73983   0.75649   0.76277   0.77474   0.77992
 Alpha virt. eigenvalues --    0.79620   0.81059   0.81416   0.83659   0.84359
 Alpha virt. eigenvalues --    0.85694   0.87734   0.88773   0.89200   0.89768
 Alpha virt. eigenvalues --    0.92010   0.93210   0.96248   0.96605   0.98283
 Alpha virt. eigenvalues --    0.99600   1.01179   1.05287   1.06354   1.07401
 Alpha virt. eigenvalues --    1.07945   1.08857   1.10417   1.10880   1.12895
 Alpha virt. eigenvalues --    1.13514   1.14935   1.16772   1.20383   1.21977
 Alpha virt. eigenvalues --    1.24616   1.25430   1.28039   1.28919   1.30760
 Alpha virt. eigenvalues --    1.30916   1.32793   1.39111   1.40738   1.42817
 Alpha virt. eigenvalues --    1.43073   1.44291   1.46972   1.47692   1.48407
 Alpha virt. eigenvalues --    1.52888   1.53935   1.58403   1.62133   1.63555
 Alpha virt. eigenvalues --    1.65092   1.66822   1.70405   1.71928   1.75550
 Alpha virt. eigenvalues --    1.77990   1.80351   1.82962   1.83894   1.84451
 Alpha virt. eigenvalues --    1.86328   1.89006   1.91400   1.92699   1.93741
 Alpha virt. eigenvalues --    1.95067   1.95568   1.97475   1.99813   2.00319
 Alpha virt. eigenvalues --    2.02286   2.05083   2.05178   2.08031   2.09489
 Alpha virt. eigenvalues --    2.10212   2.11266   2.11630   2.14442   2.16484
 Alpha virt. eigenvalues --    2.17570   2.21002   2.22350   2.23224   2.25953
 Alpha virt. eigenvalues --    2.26187   2.29812   2.30739   2.32383   2.34177
 Alpha virt. eigenvalues --    2.36159   2.39044   2.41147   2.43444   2.47083
 Alpha virt. eigenvalues --    2.47937   2.49021   2.49812   2.53570   2.56135
 Alpha virt. eigenvalues --    2.58724   2.61618   2.64679   2.65903   2.70266
 Alpha virt. eigenvalues --    2.71978   2.75164   2.76054   2.81080   2.91032
 Alpha virt. eigenvalues --    2.96092   2.99706   3.03003   3.04656   3.06760
 Alpha virt. eigenvalues --    3.11088   3.11587   3.16327   3.16717   3.18362
 Alpha virt. eigenvalues --    3.20689   3.21542   3.23268   3.23775   3.26445
 Alpha virt. eigenvalues --    3.29267   3.34147   3.37349   3.44661   3.54011
 Alpha virt. eigenvalues --    3.64433   3.80650   3.89720   4.02157
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.144239  -0.271906  -0.302505   0.034682   0.009742   0.432386
     2  C   -0.271906   6.071737  -0.461427  -0.142277  -0.024617  -0.008308
     3  C   -0.302505  -0.461427  12.874902  -0.462953  -0.021937   0.024520
     4  C    0.034682  -0.142277  -0.462953   4.747748   0.186931  -0.021799
     5  O    0.009742  -0.024617  -0.021937   0.186931   8.420290   0.002134
     6  O    0.432386  -0.008308   0.024520  -0.021799   0.002134   7.770704
     7  O   -0.078536   0.205342  -0.191514   0.017513   0.002201  -0.037509
     8  H   -0.164237   0.089360   0.061489   0.020820   0.026542   0.034636
     9  H    0.043338   0.060750  -0.333892   0.218203  -0.096617   0.000620
    10  H   -0.007773  -0.027540   0.060176   0.254416  -0.037208  -0.008016
    11  H   -0.043751   0.125879  -0.023873   0.000616   0.001148   0.008992
    12  C   -0.135632  -0.033550  -0.069985  -0.000742   0.033678   0.022641
    13  C    0.067058   0.002767  -1.154118   0.012626  -0.007659  -0.003790
    14  H    0.002022  -0.069858   0.271843  -0.052773   0.002747   0.003880
    15  H    0.029154   0.063721  -0.010841   0.027698  -0.007303  -0.004211
    16  H    0.020330   0.013072   0.006333   0.034918  -0.009100  -0.002764
    17  H    0.031045  -0.072292  -0.347292   0.013608  -0.005998  -0.001828
    18  H   -0.012687   0.022385   0.315720  -0.009967   0.004782   0.000801
    19  H   -0.003477   0.002443   0.203412  -0.001245  -0.000169   0.001099
               7          8          9         10         11         12
     1  C   -0.078536  -0.164237   0.043338  -0.007773  -0.043751  -0.135632
     2  C    0.205342   0.089360   0.060750  -0.027540   0.125879  -0.033550
     3  C   -0.191514   0.061489  -0.333892   0.060176  -0.023873  -0.069985
     4  C    0.017513   0.020820   0.218203   0.254416   0.000616  -0.000742
     5  O    0.002201   0.026542  -0.096617  -0.037208   0.001148   0.033678
     6  O   -0.037509   0.034636   0.000620  -0.008016   0.008992   0.022641
     7  O    8.157179  -0.064244  -0.001625   0.000836   0.198354  -0.015348
     8  H   -0.064244   1.021023   0.002826  -0.026099  -0.025447   0.031105
     9  H   -0.001625   0.002826   1.431227  -0.324393  -0.000081  -0.066467
    10  H    0.000836  -0.026099  -0.324393   1.212991   0.001071   0.025860
    11  H    0.198354  -0.025447  -0.000081   0.001071   0.445502  -0.011149
    12  C   -0.015348   0.031105  -0.066467   0.025860  -0.011149   4.632107
    13  C    0.052510  -0.043337   0.108974  -0.065915   0.001936  -0.089577
    14  H   -0.014266   0.000678  -0.035539   0.001782  -0.001633   0.275222
    15  H   -0.008624  -0.003304   0.011368  -0.003795   0.008873   0.013674
    16  H    0.014018  -0.003055   0.026770  -0.002097   0.000684   0.012072
    17  H    0.023600  -0.019357   0.012691  -0.007053   0.000504   0.005500
    18  H   -0.001238   0.003666  -0.009682  -0.005982  -0.000305   0.023412
    19  H    0.004896  -0.002040   0.001450   0.001527  -0.002222  -0.000325
              13         14         15         16         17         18
     1  C    0.067058   0.002022   0.029154   0.020330   0.031045  -0.012687
     2  C    0.002767  -0.069858   0.063721   0.013072  -0.072292   0.022385
     3  C   -1.154118   0.271843  -0.010841   0.006333  -0.347292   0.315720
     4  C    0.012626  -0.052773   0.027698   0.034918   0.013608  -0.009967
     5  O   -0.007659   0.002747  -0.007303  -0.009100  -0.005998   0.004782
     6  O   -0.003790   0.003880  -0.004211  -0.002764  -0.001828   0.000801
     7  O    0.052510  -0.014266  -0.008624   0.014018   0.023600  -0.001238
     8  H   -0.043337   0.000678  -0.003304  -0.003055  -0.019357   0.003666
     9  H    0.108974  -0.035539   0.011368   0.026770   0.012691  -0.009682
    10  H   -0.065915   0.001782  -0.003795  -0.002097  -0.007053  -0.005982
    11  H    0.001936  -0.001633   0.008873   0.000684   0.000504  -0.000305
    12  C   -0.089577   0.275222   0.013674   0.012072   0.005500   0.023412
    13  C    5.355621  -0.011011   0.043044   0.027240   0.577138  -0.049587
    14  H   -0.011011   0.706500  -0.082823  -0.094763  -0.002128  -0.001065
    15  H    0.043044  -0.082823   0.848019  -0.066465   0.006055  -0.019700
    16  H    0.027240  -0.094763  -0.066465   0.891028   0.011287   0.008716
    17  H    0.577138  -0.002128   0.006055   0.011287   0.880597  -0.117133
    18  H   -0.049587  -0.001065  -0.019700   0.008716  -0.117133   0.777541
    19  H   -0.025992  -0.000015   0.018776  -0.022864  -0.094755  -0.006773
              19
     1  C   -0.003477
     2  C    0.002443
     3  C    0.203412
     4  C   -0.001245
     5  O   -0.000169
     6  O    0.001099
     7  O    0.004896
     8  H   -0.002040
     9  H    0.001450
    10  H    0.001527
    11  H   -0.002222
    12  C   -0.000325
    13  C   -0.025992
    14  H   -0.000015
    15  H    0.018776
    16  H   -0.022864
    17  H   -0.094755
    18  H   -0.006773
    19  H    0.699870
 Mulliken charges:
               1
     1  C    0.206507
     2  C    0.454318
     3  C   -4.438058
     4  C    1.121976
     5  O   -0.479589
     6  O   -0.214187
     7  O   -0.263546
     8  H    0.058974
     9  H   -0.049921
    10  H   -0.042786
    11  H    0.314902
    12  C    1.347502
    13  C    1.202072
    14  H    0.101199
    15  H    0.136685
    16  H    0.134639
    17  H    0.105812
    18  H    0.077094
    19  H    0.226406
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.206507
     2  C    0.513292
     3  C   -4.438058
     4  C    1.029268
     5  O   -0.479589
     6  O   -0.214187
     7  O    0.051356
    12  C    1.720026
    13  C    1.611384
 Electronic spatial extent (au):  <R**2>=           1087.3476
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.7738    Y=             -0.9233    Z=             -0.8143  Tot=              3.9696
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -61.0168   YY=            -56.5942   ZZ=            -52.0051
   XY=             -4.6730   XZ=              0.9161   YZ=              0.7823
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.4781   YY=             -0.0555   ZZ=              4.5336
   XY=             -4.6730   XZ=              0.9161   YZ=              0.7823
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             18.2295  YYY=             -3.9505  ZZZ=             -2.8901  XYY=             -2.9576
  XXY=              6.5398  XXZ=             -1.1012  XZZ=             -3.7971  YZZ=             -0.6404
  YYZ=              1.7104  XYZ=             -1.2495
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -807.6558 YYYY=           -426.7639 ZZZZ=           -233.4854 XXXY=             -9.4645
 XXXZ=              6.5278 YYYX=            -26.3090 YYYZ=              5.6027 ZZZX=             -1.7057
 ZZZY=              0.0839 XXYY=           -179.4441 XXZZ=           -161.7025 YYZZ=           -108.5468
 XXYZ=             -0.2328 YYXZ=              0.0923 ZZXY=             -1.2692
 N-N= 4.972901348258D+02 E-N=-2.066443120917D+03  KE= 4.547136015653D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 16:27:04 2021, MaxMem= 10737418240 cpu:               4.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.35843125D+00-3.17516348D-01-2.85117247D-01
 Polarizability= 8.74530308D+01-4.41639386D+00 7.59242529D+01
                -1.64995895D+00 1.02113101D+00 6.90442118D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8350    0.8343       -2.1533   -2.1557
 2     -0.8350   -0.8343       -0.3696   -0.3682       -5.9509   -5.9577
 3      2.1533    2.1557        9.3139    9.3210        0.3714    0.3682
 4      0.3696    0.3682        0.0000    0.0000        2.1510    2.1557
 5     -3.3630   -3.3632       -2.1510   -2.1557        0.8367    0.8343
 6     -0.3714   -0.3682       -0.8367   -0.8343        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.5029   -2.5029       -6.4672   -6.4672
 2      1.1045    1.1045       -0.0000    0.0000       -6.4672   -6.4672
 3      1.1045    1.1045       -2.5029   -2.5029       -0.0000    0.0000
 4     -2.5029   -2.5029       -1.1045   -1.1045      -17.8732  -17.8732
 5      6.4672    6.4672       27.9629   27.9629        1.1045    1.1045
 6    -10.0897  -10.0897       -6.4672   -6.4672        2.5029    2.5029
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1744    0.0000       -3.4304   -3.3372        8.8468    8.6229
 2      3.3459    3.3372        1.6756    1.4727       23.8422   23.8309
 3     -8.7755   -8.6229      -37.4367  -37.2838       -1.2491   -1.4727
 4     -1.4155   -1.4727       -0.0711    0.0000       -8.3886   -8.6229
 5     13.4729   13.4530        8.3746    8.6229       -3.4330   -3.3372
 6      1.2438    1.4727        3.1460    3.3372        0.1849    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2145    0.0000      -14.2376  -13.9635       -2.4499   -2.1652
 2     14.0553   13.9635       15.6251   15.0717       -3.0022   -3.2337
 3      1.9560    2.1652        1.7409    1.5788      -14.5431  -15.0717
 4    -15.1870  -15.0717        0.0359    0.0000        1.9465    2.1652
 5      1.7973    1.6549       -2.7935   -2.1652      -13.3622  -13.9635
 6     15.2507   15.0717       14.0543   13.9635        0.6861    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -5.6680   -5.3187       -6.4728   -6.3437        3.7766    3.4473
 2    -28.4457  -27.9541      -20.0978  -20.0565        3.1595    3.4473
 3    -28.3623  -27.9541       -6.2049   -6.3437        6.1773    6.2861
 4     13.8450   13.7128       22.9759   22.6355       -0.9132   -1.4230
 5      2.4670    2.8388       -1.7323   -1.8202      -22.4725  -22.6355
 6      3.3352    3.2432       -3.2591   -2.8388      -12.7751  -13.7128
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9763   -3.8367   -0.0006    0.0003    0.0006    5.5109
 Low frequencies ---   97.0353  188.6123  212.9301
 Diagonal vibrational polarizability:
        8.3247677      22.6362795      21.5526576
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     97.0351               188.6119               212.9300
 Red. masses --      5.5520                 3.5368                 1.2401
 Frc consts  --      0.0308                 0.0741                 0.0331
 IR Inten    --      0.4994                 1.8650                 1.4662
 RamAct Fr= 1--      0.5425                 0.6746                 0.1514
  Dep-P Fr= 1--      0.7364                 0.7255                 0.7202
  Dep-U Fr= 1--      0.8482                 0.8409                 0.8374
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0767                 0.0945                 0.0211
 AlphaG Fr= 1--     -0.0001                -0.0014                -0.0007
 Gamma2 Fr= 1--     -0.0075                -0.1337                -0.0113
 Delta2 Fr= 1--     -0.0042                -0.0708                 0.0342
 Raman1 Fr= 1--       2.170                  2.699                  0.605
 ROA1   Fr= 1--      -0.850                -15.102                  0.009
 CID1   Fr= 1--      -0.392                 -5.596                  0.015
 Raman2 Fr= 1--       0.920                  1.135                  0.253
 ROA2   Fr= 1--      -0.145                 -2.643                 -0.544
 CID2   Fr= 1--      -0.158                 -2.329                 -2.148
 Raman3 Fr= 1--       1.840                  2.269                  0.507
 ROA3   Fr= 1--      -0.850                -15.102                  0.009
 CID3   Fr= 1--      -0.462                 -6.655                  0.018
 RC180  Fr= 1--       0.696                  0.682                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.07    -0.02   0.01   0.05    -0.01  -0.00  -0.00
     2   6     0.00  -0.04  -0.09    -0.00  -0.02   0.01     0.00  -0.02   0.00
     3   6    -0.02  -0.01  -0.01     0.00  -0.01  -0.01    -0.01  -0.02   0.00
     4   6     0.01   0.00  -0.15    -0.02   0.02  -0.08    -0.00  -0.03   0.02
     5   8     0.01  -0.02  -0.07     0.03   0.04   0.27    -0.02  -0.01  -0.03
     6   8     0.09   0.05   0.33    -0.06  -0.02  -0.15    -0.00   0.00   0.01
     7   8     0.02   0.02  -0.28     0.09   0.01  -0.07     0.08  -0.02   0.02
     8   1    -0.01  -0.19  -0.08    -0.02  -0.09   0.01    -0.01  -0.01   0.00
     9   1     0.04  -0.07  -0.24     0.13  -0.08  -0.27    -0.04  -0.01   0.05
    10   1    -0.03   0.12  -0.20    -0.28   0.15  -0.17     0.03  -0.06   0.04
    11   1     0.06  -0.03  -0.01     0.07   0.16  -0.27     0.08   0.06  -0.03
    12   6    -0.21  -0.10   0.03     0.01  -0.19   0.02    -0.01   0.00  -0.00
    13   6     0.05   0.08   0.16    -0.03   0.15  -0.00    -0.04   0.08  -0.02
    14   1    -0.25  -0.21  -0.08     0.08  -0.42   0.01    -0.11   0.24  -0.04
    15   1    -0.31  -0.09   0.12    -0.14  -0.19   0.17     0.23  -0.04  -0.03
    16   1    -0.21  -0.06   0.09     0.12  -0.12  -0.10    -0.17  -0.18   0.06
    17   1     0.19   0.14   0.13    -0.02   0.21  -0.02     0.09  -0.34   0.04
    18   1     0.04   0.10   0.23     0.05   0.24  -0.05     0.13   0.47   0.26
    19   1    -0.02   0.09   0.26    -0.17   0.18   0.05    -0.38   0.22  -0.37
                      4                      5                      6
                      A                      A                      A
 Frequencies --    230.2449               257.9348               260.7104
 Red. masses --      1.6968                 2.4618                 1.7837
 Frc consts  --      0.0530                 0.0965                 0.0714
 IR Inten    --      2.4795                26.0061                 4.1396
 RamAct Fr= 1--      0.1249                 0.1114                 0.2921
  Dep-P Fr= 1--      0.6610                 0.3921                 0.3137
  Dep-U Fr= 1--      0.7959                 0.5633                 0.4776
 Alpha2 Fr= 1--      0.0002                 0.0008                 0.0029
 Beta2  Fr= 1--      0.0166                 0.0105                 0.0233
 AlphaG Fr= 1--      0.0024                 0.0055                -0.0051
 Gamma2 Fr= 1--     -0.0919                -0.0626                 0.0329
 Delta2 Fr= 1--     -0.1255                -0.0118                -0.0082
 Raman1 Fr= 1--       0.500                  0.446                  1.168
 ROA1   Fr= 1--     -12.842                 -6.388                  2.895
 CID1   Fr= 1--     -25.703                -14.337                  2.478
 Raman2 Fr= 1--       0.199                  0.125                  0.279
 ROA2   Fr= 1--      -1.203                 -1.408                  0.854
 CID2   Fr= 1--      -6.049                -11.219                  3.062
 Raman3 Fr= 1--       0.398                  0.251                  0.558
 ROA3   Fr= 1--     -12.842                 -6.388                  2.895
 CID3   Fr= 1--     -32.293                -25.450                  5.189
 RC180  Fr= 1--       0.592                  0.127                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00    -0.04  -0.02   0.04    -0.02   0.00   0.01
     2   6    -0.00   0.03  -0.04    -0.02  -0.00   0.01    -0.01  -0.00   0.05
     3   6     0.01   0.02  -0.05    -0.03   0.01  -0.02     0.00   0.01   0.06
     4   6     0.00   0.04  -0.08     0.01   0.01   0.00    -0.00   0.01   0.03
     5   8     0.04   0.02   0.11     0.01  -0.02  -0.03    -0.02  -0.01  -0.06
     6   8     0.01  -0.01  -0.01    -0.07  -0.13   0.02    -0.03  -0.02  -0.01
     7   8    -0.06  -0.01   0.05     0.23   0.03   0.04    -0.04   0.04  -0.12
     8   1    -0.03   0.08  -0.04    -0.10  -0.02   0.01     0.03  -0.11   0.05
     9   1     0.11  -0.01  -0.20     0.02   0.04   0.02    -0.04   0.01   0.04
    10   1    -0.13   0.12  -0.14     0.04  -0.01   0.01     0.06   0.02   0.04
    11   1    -0.08  -0.06   0.03     0.22   0.37  -0.33    -0.04   0.01  -0.07
    12   6    -0.07   0.01  -0.04    -0.10   0.09  -0.02     0.14  -0.07   0.07
    13   6     0.07  -0.07   0.03    -0.03   0.01  -0.01    -0.03   0.04   0.01
    14   1    -0.26   0.45  -0.15    -0.17   0.24  -0.07     0.05   0.33   0.09
    15   1     0.38  -0.07  -0.07     0.02   0.07  -0.08     0.63  -0.16   0.08
    16   1    -0.39  -0.34   0.10    -0.20   0.01   0.08    -0.10  -0.44   0.03
    17   1     0.15  -0.10   0.02    -0.15   0.36  -0.06    -0.14   0.25  -0.01
    18   1    -0.00  -0.13   0.11    -0.13  -0.26  -0.26    -0.05  -0.09  -0.17
    19   1     0.15  -0.09   0.01     0.18  -0.08   0.29     0.06  -0.01   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    299.7248               344.2964               358.3916
 Red. masses --      2.3410                 2.4059                 1.1906
 Frc consts  --      0.1239                 0.1680                 0.0901
 IR Inten    --      5.6531                 6.1980                69.7190
 RamAct Fr= 1--      1.0251                 0.6834                 0.6990
  Dep-P Fr= 1--      0.3464                 0.6463                 0.7146
  Dep-U Fr= 1--      0.5145                 0.7852                 0.8335
 Alpha2 Fr= 1--      0.0091                 0.0013                 0.0004
 Beta2  Fr= 1--      0.0879                 0.0894                 0.0971
 AlphaG Fr= 1--     -0.0052                 0.0018                -0.0065
 Gamma2 Fr= 1--     -0.0706                -0.1939                 0.0305
 Delta2 Fr= 1--     -0.0428                -0.0537                 0.0255
 Raman1 Fr= 1--       4.100                  2.734                  2.796
 ROA1   Fr= 1--      -8.145                -20.332                  3.740
 CID1   Fr= 1--      -1.986                 -7.438                  1.338
 Raman2 Fr= 1--       1.055                  1.073                  1.165
 ROA2   Fr= 1--      -1.351                 -4.223                  0.527
 CID2   Fr= 1--      -1.281                 -3.935                  0.452
 Raman3 Fr= 1--       2.110                  2.146                  2.331
 ROA3   Fr= 1--      -8.145                -20.332                  3.740
 CID3   Fr= 1--      -3.860                 -9.473                  1.605
 RC180  Fr= 1--       0.029                  0.570                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.05    -0.05  -0.02   0.00    -0.02  -0.01  -0.01
     2   6     0.03  -0.06  -0.05    -0.02  -0.07  -0.02    -0.00   0.00   0.01
     3   6     0.01  -0.04  -0.03    -0.01  -0.04  -0.02    -0.00  -0.02  -0.00
     4   6     0.01  -0.07   0.08    -0.07  -0.04  -0.08    -0.01  -0.01  -0.01
     5   8    -0.01  -0.02   0.04    -0.08  -0.03   0.00    -0.01   0.00   0.02
     6   8     0.10   0.14  -0.01    -0.03   0.05   0.01    -0.03  -0.04  -0.02
     7   8    -0.02  -0.10   0.05     0.01  -0.10   0.04     0.05   0.03  -0.04
     8   1     0.05   0.01  -0.05    -0.03  -0.07  -0.02    -0.01   0.02   0.01
     9   1    -0.04   0.01   0.20    -0.05  -0.12  -0.18    -0.01  -0.04  -0.05
    10   1     0.04  -0.21   0.14    -0.14   0.06  -0.13    -0.05   0.02  -0.03
    11   1    -0.01  -0.21   0.16    -0.03   0.01  -0.28     0.19  -0.21   0.93
    12   6    -0.09  -0.01  -0.03     0.14   0.12  -0.08     0.01   0.03  -0.02
    13   6    -0.05   0.14  -0.05     0.07   0.08   0.15     0.00   0.01   0.02
    14   1    -0.18   0.14  -0.11     0.24   0.21   0.11     0.02   0.08   0.01
    15   1     0.04  -0.03  -0.04     0.15   0.15  -0.29     0.02   0.04  -0.09
    16   1    -0.22  -0.12   0.08     0.23   0.21  -0.12     0.01   0.06   0.01
    17   1    -0.20   0.54  -0.11     0.29   0.23   0.10     0.02   0.06   0.01
    18   1    -0.01  -0.00  -0.39     0.04   0.09   0.23     0.01   0.01   0.01
    19   1    -0.03   0.09   0.29    -0.02   0.08   0.37    -0.02   0.01   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    385.4662               512.1437               547.9256
 Red. masses --      2.2147                 4.2067                 5.0902
 Frc consts  --      0.1939                 0.6501                 0.9004
 IR Inten    --      0.5740                10.6986                 2.0701
 RamAct Fr= 1--      0.5873                 1.6479                 3.1143
  Dep-P Fr= 1--      0.5145                 0.1943                 0.6271
  Dep-U Fr= 1--      0.6794                 0.3253                 0.7708
 Alpha2 Fr= 1--      0.0027                 0.0227                 0.0070
 Beta2  Fr= 1--      0.0665                 0.0893                 0.4001
 AlphaG Fr= 1--      0.0108                -0.0425                 0.0191
 Gamma2 Fr= 1--      0.1384                -0.0165                 0.6390
 Delta2 Fr= 1--     -0.0677                -0.0757                 0.2142
 Raman1 Fr= 1--       2.349                  6.591                 12.457
 ROA1   Fr= 1--      11.120                 -4.010                 68.201
 CID1   Fr= 1--       4.733                 -0.608                  5.475
 Raman2 Fr= 1--       0.798                  1.072                  4.801
 ROA2   Fr= 1--       3.864                  0.209                 13.624
 CID2   Fr= 1--       4.841                  0.195                  2.838
 Raman3 Fr= 1--       1.596                  2.144                  9.602
 ROA3   Fr= 1--      11.120                 -4.010                 68.201
 CID3   Fr= 1--       6.966                 -1.870                  7.103
 RC180  Fr= 1--       0.359                 -0.349                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.03    -0.01   0.01   0.27     0.17  -0.01   0.05
     2   6    -0.04   0.05  -0.09     0.00  -0.04   0.24     0.02   0.15   0.09
     3   6    -0.01   0.03  -0.12     0.16  -0.03  -0.06    -0.10  -0.14  -0.04
     4   6     0.00  -0.02   0.14     0.01  -0.07  -0.00    -0.06  -0.22  -0.03
     5   8    -0.01   0.04   0.01    -0.06  -0.05  -0.07     0.03  -0.10   0.03
     6   8    -0.05  -0.06   0.04    -0.08   0.06  -0.10     0.17  -0.04  -0.06
     7   8    -0.00   0.04   0.02    -0.06   0.05  -0.04    -0.06   0.28  -0.00
     8   1    -0.10   0.12  -0.09    -0.29  -0.23   0.22    -0.04   0.21   0.09
     9   1    -0.08   0.22   0.43    -0.08  -0.04   0.08     0.01  -0.14   0.01
    10   1     0.11  -0.37   0.28     0.00  -0.17   0.04    -0.06  -0.28  -0.01
    11   1     0.00   0.06   0.04    -0.07  -0.03  -0.01    -0.11   0.23  -0.18
    12   6     0.03  -0.12  -0.12    -0.07   0.01  -0.06    -0.01   0.00  -0.13
    13   6     0.11   0.04   0.06     0.22   0.05  -0.10    -0.16  -0.02   0.10
    14   1     0.05  -0.20  -0.11    -0.23   0.02  -0.30     0.05   0.15   0.03
    15   1     0.06  -0.15   0.05    -0.20   0.03  -0.07     0.01   0.04  -0.41
    16   1     0.03  -0.20  -0.26    -0.18   0.07   0.25     0.05   0.11  -0.10
    17   1     0.34   0.08   0.03     0.25   0.08  -0.11    -0.04   0.09   0.07
    18   1     0.02   0.02   0.22     0.26   0.09  -0.11    -0.11   0.06   0.13
    19   1     0.09   0.03   0.17     0.16   0.06  -0.07    -0.32   0.00   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    562.8795               651.0688               721.8594
 Red. masses --      3.5193                 6.7744                 6.2981
 Frc consts  --      0.6570                 1.6919                 1.9336
 IR Inten    --      7.8879                 1.9480                 3.5348
 RamAct Fr= 1--      2.6109                 5.1963                12.0465
  Dep-P Fr= 1--      0.1181                 0.1688                 0.1161
  Dep-U Fr= 1--      0.2113                 0.2888                 0.2080
 Alpha2 Fr= 1--      0.0437                 0.0766                 0.2027
 Beta2  Fr= 1--      0.0919                 0.2501                 0.4176
 AlphaG Fr= 1--      0.0328                -0.0178                 0.0542
 Gamma2 Fr= 1--     -0.3315                 0.1241                -0.6217
 Delta2 Fr= 1--      0.1352                 0.1556                -0.3519
 Raman1 Fr= 1--      10.443                 20.785                 48.186
 ROA1   Fr= 1--     -27.502                 16.890                -70.942
 CID1   Fr= 1--      -2.633                  0.813                 -1.472
 Raman2 Fr= 1--       1.103                  3.002                  5.012
 ROA2   Fr= 1--      -9.039                  1.733                -12.105
 CID2   Fr= 1--      -8.192                  0.577                 -2.415
 Raman3 Fr= 1--       2.207                  6.003                 10.023
 ROA3   Fr= 1--     -27.502                 16.890                -70.942
 CID3   Fr= 1--     -12.463                  2.814                 -7.078
 RC180  Fr= 1--      -0.577                 -0.422                 -0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.08   0.13     0.04   0.23   0.15    -0.25  -0.05  -0.20
     2   6    -0.14  -0.06   0.05    -0.02  -0.08   0.06    -0.15   0.01  -0.03
     3   6    -0.13   0.12  -0.06    -0.02  -0.19   0.00     0.05  -0.17   0.04
     4   6     0.13   0.10   0.00     0.14  -0.04  -0.03     0.30  -0.17  -0.05
     5   8     0.07  -0.13  -0.03     0.23   0.36  -0.09     0.15  -0.07   0.05
     6   8     0.04   0.18  -0.09    -0.10  -0.03  -0.03    -0.19   0.20   0.08
     7   8     0.06  -0.04  -0.01    -0.05  -0.16  -0.02    -0.01   0.15   0.02
     8   1    -0.37  -0.16   0.04    -0.13  -0.26   0.05     0.05   0.21  -0.01
     9   1     0.27   0.24   0.06    -0.05  -0.07   0.07     0.25  -0.22  -0.06
    10   1     0.20   0.08   0.03     0.18  -0.14   0.01     0.27  -0.16  -0.06
    11   1     0.11   0.08   0.22    -0.06  -0.20  -0.06    -0.00   0.31  -0.05
    12   6    -0.00  -0.02  -0.07    -0.02  -0.04  -0.11     0.02  -0.02   0.07
    13   6    -0.10  -0.04   0.07    -0.17  -0.07   0.10     0.05  -0.02  -0.02
    14   1     0.09  -0.09   0.03     0.00   0.12  -0.02    -0.02   0.13   0.07
    15   1     0.10  -0.06   0.07    -0.02   0.01  -0.41    -0.03   0.04  -0.19
    16   1     0.04  -0.14  -0.32     0.02   0.09   0.00     0.02   0.13   0.29
    17   1     0.04  -0.15   0.08    -0.15  -0.00   0.09    -0.00   0.02  -0.03
    18   1    -0.28  -0.16   0.28    -0.11  -0.00   0.07     0.15   0.04  -0.12
    19   1     0.08  -0.09   0.02    -0.29  -0.05   0.19    -0.05  -0.00   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    808.8596               894.6888               914.4906
 Red. masses --      3.3019                 4.3023                 2.2306
 Frc consts  --      1.2728                 2.0291                 1.0991
 IR Inten    --      0.8868                 2.9773                 9.3222
 RamAct Fr= 1--      8.2186                 1.8869                 2.4899
  Dep-P Fr= 1--      0.1324                 0.2239                 0.5089
  Dep-U Fr= 1--      0.2339                 0.3658                 0.6746
 Alpha2 Fr= 1--      0.1328                 0.0240                 0.0118
 Beta2  Fr= 1--      0.3204                 0.1150                 0.2799
 AlphaG Fr= 1--     -0.0543                 0.0144                -0.0280
 Gamma2 Fr= 1--     -0.1459                -0.2401                 1.0557
 Delta2 Fr= 1--      0.3732                -0.3530                 0.3670
 Raman1 Fr= 1--      32.874                  7.548                  9.960
 ROA1   Fr= 1--      -2.064                -34.348                113.090
 CID1   Fr= 1--      -0.063                 -4.551                 11.355
 Raman2 Fr= 1--       3.845                  1.381                  3.359
 ROA2   Fr= 1--      -6.487                 -2.939                 22.401
 CID2   Fr= 1--      -1.687                 -2.129                  6.669
 Raman3 Fr= 1--       7.689                  2.761                  6.718
 ROA3   Fr= 1--      -2.064                -34.348                113.090
 CID3   Fr= 1--      -0.268                -12.440                 16.833
 RC180  Fr= 1--      -0.532                 -0.268                  0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.05   0.11     0.02  -0.04  -0.28    -0.04   0.03   0.01
     2   6    -0.16   0.02  -0.16    -0.19  -0.10   0.30     0.17   0.01   0.05
     3   6    -0.06   0.02  -0.07    -0.04   0.05  -0.00    -0.01   0.13  -0.04
     4   6    -0.03  -0.17  -0.07    -0.10  -0.05  -0.02     0.03  -0.15  -0.12
     5   8     0.03   0.05  -0.02     0.07   0.12   0.03    -0.01  -0.02   0.03
     6   8     0.05  -0.01  -0.05     0.13  -0.01   0.03    -0.08   0.01   0.02
     7   8     0.00  -0.02   0.02     0.02  -0.03  -0.04     0.00  -0.02  -0.01
     8   1    -0.48   0.02  -0.18    -0.06  -0.20   0.30     0.32   0.01   0.05
     9   1    -0.10  -0.13   0.02    -0.21  -0.02   0.06     0.02   0.10   0.14
    10   1    -0.06  -0.33  -0.03    -0.10  -0.18   0.02     0.02  -0.49  -0.01
    11   1     0.04   0.14   0.10     0.08   0.34   0.03    -0.04  -0.24  -0.05
    12   6     0.01   0.06   0.26     0.00  -0.00  -0.01    -0.00   0.04   0.01
    13   6     0.06   0.02  -0.06     0.04   0.07  -0.06    -0.07   0.07   0.03
    14   1     0.11   0.04   0.41    -0.05   0.02  -0.08     0.00  -0.03  -0.02
    15   1     0.12   0.03   0.31    -0.04   0.01  -0.02     0.03   0.01   0.16
    16   1     0.06   0.00   0.07    -0.02   0.02   0.07    -0.01  -0.04  -0.08
    17   1     0.15   0.00  -0.06     0.27  -0.09  -0.06    -0.06  -0.19   0.07
    18   1    -0.01  -0.03   0.02    -0.24  -0.15   0.22    -0.36  -0.21   0.19
    19   1     0.15   0.00  -0.06     0.37  -0.02  -0.09     0.36  -0.02  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    950.3410               969.4609              1007.1773
 Red. masses --      1.6842                 1.3779                 2.0948
 Frc consts  --      0.8962                 0.7630                 1.2520
 IR Inten    --      0.2404                 0.6954                17.7927
 RamAct Fr= 1--      3.7830                 1.5683                 2.2250
  Dep-P Fr= 1--      0.6769                 0.7475                 0.7339
  Dep-U Fr= 1--      0.8073                 0.8555                 0.8465
 Alpha2 Fr= 1--      0.0049                 0.0001                 0.0006
 Beta2  Fr= 1--      0.5090                 0.2236                 0.3139
 AlphaG Fr= 1--     -0.0024                -0.0002                 0.0016
 Gamma2 Fr= 1--     -0.5765                -0.0103                -1.1342
 Delta2 Fr= 1--     -0.6937                -0.0221                -0.3992
 Raman1 Fr= 1--      15.132                  6.273                  8.900
 ROA1   Fr= 1--     -77.543                 -1.698               -121.655
 CID1   Fr= 1--      -5.124                 -0.271                -13.669
 Raman2 Fr= 1--       6.108                  2.683                  3.767
 ROA2   Fr= 1--      -8.287                 -0.072                -24.026
 CID2   Fr= 1--      -1.357                 -0.027                 -6.378
 Raman3 Fr= 1--      12.217                  5.367                  7.534
 ROA3   Fr= 1--     -77.543                 -1.698               -121.655
 CID3   Fr= 1--      -6.347                 -0.316                -16.147
 RC180  Fr= 1--       0.615                  0.711                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.00  -0.01   0.00    -0.04   0.01  -0.00
     2   6     0.05   0.00   0.04     0.01   0.00   0.01     0.10  -0.01   0.05
     3   6    -0.03  -0.06  -0.10    -0.07  -0.02   0.04    -0.10  -0.02  -0.01
     4   6    -0.03   0.12  -0.08    -0.01   0.03  -0.03    -0.10  -0.03   0.07
     5   8     0.01  -0.01   0.02     0.00  -0.00   0.01     0.14  -0.03  -0.02
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.01
     7   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
     8   1     0.06   0.01   0.03     0.05  -0.01   0.02     0.17   0.00   0.06
     9   1     0.10   0.53   0.25     0.02   0.20   0.11     0.02  -0.15  -0.12
    10   1     0.03  -0.31   0.08     0.03  -0.14   0.03    -0.02   0.22  -0.01
    11   1    -0.01  -0.08  -0.03     0.00  -0.01  -0.00    -0.03  -0.18  -0.04
    12   6     0.03  -0.03   0.11    -0.10  -0.06  -0.01    -0.08   0.07   0.01
    13   6    -0.04  -0.05  -0.05     0.10   0.04   0.01     0.04  -0.03  -0.10
    14   1    -0.03   0.14   0.10     0.16   0.18   0.50     0.13  -0.10   0.27
    15   1    -0.08   0.04  -0.16     0.12  -0.03  -0.44     0.17  -0.02   0.26
    16   1     0.03   0.14   0.34     0.14   0.09  -0.27     0.00  -0.15  -0.48
    17   1     0.30   0.13  -0.12    -0.26  -0.09   0.07     0.38   0.18  -0.17
    18   1    -0.02   0.08   0.13     0.17  -0.01  -0.24     0.07   0.11   0.08
    19   1    -0.24  -0.03   0.24     0.17   0.05  -0.26    -0.17  -0.01   0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.5317              1049.4553              1130.4699
 Red. masses --      3.3424                 1.5872                 3.9577
 Frc consts  --      2.0751                 1.0299                 2.9800
 IR Inten    --     74.3845                14.1897               252.7943
 RamAct Fr= 1--      1.5113                 1.0511                 2.2733
  Dep-P Fr= 1--      0.7416                 0.7049                 0.4485
  Dep-U Fr= 1--      0.8516                 0.8269                 0.6193
 Alpha2 Fr= 1--      0.0002                 0.0008                 0.0140
 Beta2  Fr= 1--      0.2145                 0.1449                 0.2346
 AlphaG Fr= 1--      0.0033                 0.0005                -0.0291
 Gamma2 Fr= 1--      1.3588                -0.2723                -0.1569
 Delta2 Fr= 1--      0.1573                 0.1178                 0.4192
 Raman1 Fr= 1--       6.045                  4.204                  9.093
 ROA1   Fr= 1--     135.482                -22.377                 -1.649
 CID1   Fr= 1--      22.412                 -5.322                 -0.181
 Raman2 Fr= 1--       2.574                  1.738                  2.816
 ROA2   Fr= 1--      31.354                 -7.478                 -7.120
 CID2   Fr= 1--      12.181                 -4.302                 -2.529
 Raman3 Fr= 1--       5.148                  3.477                  5.631
 ROA3   Fr= 1--     135.482                -22.377                 -1.649
 CID3   Fr= 1--      26.317                 -6.436                 -0.293
 RC180  Fr= 1--       0.703                  0.654                  0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.06  -0.03     0.00  -0.02  -0.05     0.04   0.24  -0.03
     2   6     0.02  -0.02   0.05    -0.01  -0.02   0.06    -0.07   0.27   0.09
     3   6    -0.09  -0.05  -0.01     0.03   0.01  -0.03    -0.07   0.03   0.05
     4   6     0.28  -0.01   0.04     0.06  -0.01  -0.09    -0.01  -0.08   0.00
     5   8    -0.24   0.06   0.02    -0.06   0.04   0.03    -0.01  -0.13   0.02
     6   8     0.03  -0.06   0.00     0.02  -0.01   0.01    -0.02  -0.02   0.00
     7   8    -0.00   0.01  -0.00     0.00   0.00  -0.01    -0.01  -0.22  -0.08
     8   1     0.06  -0.01   0.05    -0.15  -0.03   0.05     0.24   0.23   0.09
     9   1     0.27  -0.20  -0.15     0.00   0.16   0.11     0.49   0.17  -0.04
    10   1     0.09   0.27  -0.08     0.05  -0.25  -0.00     0.09   0.00  -0.01
    11   1    -0.03  -0.10  -0.05     0.00   0.02  -0.01     0.13   0.42   0.11
    12   6    -0.07  -0.00   0.03    -0.03   0.10  -0.01     0.03  -0.01  -0.03
    13   6    -0.01   0.01  -0.12     0.02  -0.09   0.06     0.05  -0.04  -0.01
    14   1     0.09   0.04   0.29     0.05  -0.18  -0.01    -0.05  -0.01  -0.15
    15   1     0.10  -0.02  -0.09     0.13   0.00   0.42    -0.06   0.01   0.01
    16   1     0.05  -0.01  -0.21    -0.05  -0.17  -0.34    -0.03   0.02   0.14
    17   1     0.48   0.06  -0.17    -0.26   0.12   0.05     0.03   0.10  -0.03
    18   1    -0.21  -0.04   0.27     0.35   0.17  -0.25     0.21   0.12  -0.10
    19   1     0.06  -0.05   0.16    -0.37   0.02   0.07    -0.12   0.01   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1180.5115              1192.6554              1226.0178
 Red. masses --      1.8675                 2.5416                 1.5189
 Frc consts  --      1.5334                 2.1300                 1.3452
 IR Inten    --     15.7494                19.9778                22.9007
 RamAct Fr= 1--      4.0282                 2.6597                 1.3714
  Dep-P Fr= 1--      0.7499                 0.6892                 0.7381
  Dep-U Fr= 1--      0.8571                 0.8160                 0.8494
 Alpha2 Fr= 1--      0.0000                 0.0028                 0.0003
 Beta2  Fr= 1--      0.5754                 0.3617                 0.1941
 AlphaG Fr= 1--      0.0010                -0.0076                 0.0024
 Gamma2 Fr= 1--     -0.1147                 0.1238                 0.4843
 Delta2 Fr= 1--     -0.2762                -0.1756                 0.0520
 Raman1 Fr= 1--      16.113                 10.639                  5.486
 ROA1   Fr= 1--     -19.851                  6.260                 48.157
 CID1   Fr= 1--      -1.232                  0.588                  8.779
 Raman2 Fr= 1--       6.905                  4.340                  2.330
 ROA2   Fr= 1--      -0.543                  4.375                 11.208
 CID2   Fr= 1--      -0.079                  1.008                  4.811
 Raman3 Fr= 1--      13.810                  8.681                  4.659
 ROA3   Fr= 1--     -19.851                  6.260                 48.157
 CID3   Fr= 1--      -1.437                  0.721                 10.336
 RC180  Fr= 1--       0.714                  0.632                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.14   0.10     0.03   0.18   0.01     0.00   0.03  -0.02
     2   6    -0.05   0.05  -0.04    -0.04  -0.17  -0.09     0.02   0.08   0.02
     3   6    -0.05   0.06   0.12    -0.05  -0.09   0.13     0.09  -0.10  -0.00
     4   6     0.03  -0.01  -0.07    -0.04   0.03  -0.09    -0.01   0.06  -0.05
     5   8    -0.01   0.06   0.01    -0.00  -0.06   0.03    -0.00  -0.05   0.05
     6   8     0.01   0.01  -0.02     0.01  -0.02  -0.01    -0.00  -0.00   0.00
     7   8     0.00  -0.03  -0.01    -0.03   0.09   0.06     0.00  -0.04  -0.02
     8   1     0.59   0.18   0.00     0.33  -0.46  -0.05    -0.37   0.21  -0.00
     9   1    -0.52  -0.13   0.13     0.10   0.35   0.15    -0.54  -0.09   0.11
    10   1     0.25  -0.12   0.00     0.42  -0.02   0.02     0.56   0.14   0.03
    11   1     0.05   0.19   0.05     0.00   0.20   0.11     0.00  -0.03  -0.03
    12   6     0.00  -0.01  -0.04     0.03   0.05  -0.04    -0.03   0.03   0.00
    13   6     0.01  -0.04  -0.06     0.03   0.03  -0.04    -0.04   0.04  -0.01
    14   1    -0.02   0.01  -0.07    -0.02  -0.14  -0.20     0.05  -0.07   0.09
    15   1    -0.04  -0.00  -0.04    -0.02   0.02   0.18     0.10  -0.01   0.05
    16   1    -0.01  -0.01  -0.01    -0.09  -0.13  -0.05    -0.00  -0.04  -0.14
    17   1     0.22   0.12  -0.11     0.13  -0.04  -0.04     0.04  -0.10   0.01
    18   1     0.07   0.10   0.05    -0.03  -0.02   0.01    -0.17  -0.09   0.09
    19   1    -0.09  -0.03   0.12     0.15  -0.00  -0.02     0.13  -0.01   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1246.3210              1259.2052              1312.8070
 Red. masses --      1.6359                 2.3023                 1.9000
 Frc consts  --      1.4971                 2.1509                 1.9293
 IR Inten    --      5.9440                41.7650                 8.5763
 RamAct Fr= 1--      2.4227                 3.8248                 3.8404
  Dep-P Fr= 1--      0.7433                 0.6237                 0.7185
  Dep-U Fr= 1--      0.8527                 0.7683                 0.8362
 Alpha2 Fr= 1--      0.0003                 0.0088                 0.0021
 Beta2  Fr= 1--      0.3443                 0.4897                 0.5352
 AlphaG Fr= 1--     -0.0011                -0.0031                -0.0097
 Gamma2 Fr= 1--     -1.0321                -1.6673                 1.6600
 Delta2 Fr= 1--     -0.6615                -0.8478                 0.8689
 Raman1 Fr= 1--       9.691                 15.299                 15.362
 ROA1   Fr= 1--    -120.250               -187.196                187.159
 CID1   Fr= 1--     -12.408                -12.236                 12.183
 Raman2 Fr= 1--       4.132                  5.877                  6.423
 ROA2   Fr= 1--     -19.479                -33.233                 32.888
 CID2   Fr= 1--      -4.714                 -5.655                  5.121
 Raman3 Fr= 1--       8.264                 11.754                 12.845
 ROA3   Fr= 1--    -120.250               -187.196                187.159
 CID3   Fr= 1--     -14.551                -15.926                 14.570
 RC180  Fr= 1--       0.705                  0.537                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05     0.01   0.07  -0.02    -0.01  -0.06  -0.02
     2   6     0.04  -0.00  -0.01    -0.01  -0.05  -0.03    -0.01   0.10  -0.03
     3   6    -0.07   0.16   0.05     0.25   0.13   0.02     0.04  -0.05   0.22
     4   6    -0.00  -0.06  -0.03    -0.02  -0.01  -0.00     0.00   0.01  -0.03
     5   8     0.00  -0.02   0.03     0.00  -0.04  -0.00     0.01   0.01  -0.02
     6   8    -0.01  -0.01   0.01    -0.01  -0.00   0.00    -0.00   0.01   0.00
     7   8     0.02   0.02   0.02    -0.04  -0.00   0.02     0.02  -0.01   0.00
     8   1    -0.48  -0.38  -0.03     0.07  -0.21  -0.02    -0.47  -0.14  -0.06
     9   1    -0.19  -0.11   0.03    -0.03  -0.05  -0.03     0.24   0.20   0.03
    10   1     0.38   0.12  -0.02    -0.16  -0.14   0.01    -0.45  -0.34   0.02
    11   1    -0.06  -0.35  -0.07     0.08   0.51   0.16    -0.04  -0.29  -0.08
    12   6     0.03  -0.07  -0.01    -0.10  -0.05   0.01    -0.01   0.02  -0.05
    13   6     0.02  -0.06  -0.01    -0.08  -0.06  -0.03    -0.02   0.02  -0.07
    14   1    -0.07   0.15  -0.06     0.06   0.10   0.30     0.00  -0.11  -0.09
    15   1    -0.11  -0.00  -0.21     0.19  -0.05  -0.26     0.05  -0.00  -0.01
    16   1     0.05   0.10   0.15     0.15   0.13  -0.25    -0.03  -0.08  -0.15
    17   1     0.03   0.18  -0.05     0.09   0.08  -0.06     0.21  -0.03  -0.07
    18   1     0.15   0.13  -0.01    -0.09   0.07   0.21    -0.06   0.06   0.13
    19   1    -0.17  -0.01   0.05    -0.19  -0.06   0.25     0.15  -0.05   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1367.0538              1394.9468              1399.9303
 Red. masses --      1.3478                 1.6177                 1.4516
 Frc consts  --      1.4840                 1.8546                 1.6761
 IR Inten    --      4.2964                 6.5224                13.0925
 RamAct Fr= 1--      2.5502                 1.7902                 0.9231
  Dep-P Fr= 1--      0.5588                 0.5291                 0.7242
  Dep-U Fr= 1--      0.7169                 0.6921                 0.8400
 Alpha2 Fr= 1--      0.0093                 0.0077                 0.0004
 Beta2  Fr= 1--      0.3047                 0.2065                 0.1292
 AlphaG Fr= 1--      0.0184                 0.0096                -0.0077
 Gamma2 Fr= 1--      1.3101                -0.1860                 0.6057
 Delta2 Fr= 1--      0.6655                 0.1540                 0.2806
 Raman1 Fr= 1--      10.201                  7.161                  3.693
 ROA1   Fr= 1--     147.065                -12.925                 67.122
 CID1   Fr= 1--      14.417                 -1.805                 18.178
 Raman2 Fr= 1--       3.657                  2.478                  1.551
 ROA2   Fr= 1--      26.119                 -5.695                 12.291
 CID2   Fr= 1--       7.143                 -2.298                  7.925
 Raman3 Fr= 1--       7.313                  4.956                  3.102
 ROA3   Fr= 1--     147.065                -12.925                 67.122
 CID3   Fr= 1--      20.109                 -2.608                 21.640
 RC180  Fr= 1--       0.434                  0.384                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.03  -0.13   0.01    -0.00   0.02  -0.01
     2   6     0.04  -0.12   0.00     0.11   0.08  -0.02     0.12  -0.03  -0.00
     3   6     0.01   0.04   0.06    -0.00  -0.04  -0.02    -0.09  -0.01   0.01
     4   6    -0.05  -0.06  -0.01    -0.04  -0.07   0.00     0.05   0.05   0.00
     5   8    -0.01   0.04  -0.00    -0.02   0.08  -0.00     0.01  -0.02  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     7   8    -0.01   0.00  -0.02    -0.04  -0.02   0.01    -0.04  -0.02  -0.00
     8   1    -0.28   0.78  -0.01    -0.15  -0.50  -0.03    -0.27   0.01  -0.02
     9   1     0.33   0.23   0.05     0.32   0.19   0.04    -0.25  -0.17  -0.03
    10   1     0.22   0.17  -0.04     0.32   0.28  -0.04    -0.25  -0.18   0.02
    11   1     0.02   0.11   0.00     0.08   0.52   0.16     0.07   0.51   0.14
    12   6     0.01  -0.01  -0.00    -0.01   0.00  -0.02     0.04   0.02   0.07
    13   6    -0.01  -0.01  -0.02    -0.02   0.02   0.01     0.01   0.00   0.00
    14   1    -0.03   0.03  -0.05     0.05   0.01   0.08    -0.16  -0.08  -0.30
    15   1    -0.04   0.01  -0.08     0.04  -0.03   0.13    -0.17   0.11  -0.33
    16   1     0.02  -0.02  -0.04    -0.01   0.06   0.09    -0.01  -0.25  -0.25
    17   1     0.04   0.04  -0.02     0.06  -0.02   0.00     0.05   0.03  -0.01
    18   1     0.02   0.06   0.05    -0.01  -0.01  -0.04     0.03  -0.00  -0.06
    19   1     0.03  -0.02   0.03     0.08  -0.00  -0.05     0.03   0.01  -0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1411.4127              1435.8153              1485.5882
 Red. masses --      1.3183                 1.2793                 1.0451
 Frc consts  --      1.5473                 1.5539                 1.3590
 IR Inten    --      9.8421                 9.1322                 0.5286
 RamAct Fr= 1--      0.3127                 0.3725                 6.5635
  Dep-P Fr= 1--      0.3652                 0.4764                 0.7495
  Dep-U Fr= 1--      0.5350                 0.6453                 0.8568
 Alpha2 Fr= 1--      0.0026                 0.0020                 0.0001
 Beta2  Fr= 1--      0.0279                 0.0401                 0.9373
 AlphaG Fr= 1--     -0.0070                 0.0106                 0.0013
 Gamma2 Fr= 1--      0.0118                -0.3444                 0.1391
 Delta2 Fr= 1--      0.0163                -0.1885                -0.1636
 Raman1 Fr= 1--       1.251                  1.490                 26.254
 ROA1   Fr= 1--       1.658                -39.095                  8.114
 CID1   Fr= 1--       1.325                -26.236                  0.309
 Raman2 Fr= 1--       0.335                  0.481                 11.248
 ROA2   Fr= 1--       0.154                 -6.758                  4.647
 CID2   Fr= 1--       0.461                -14.056                  0.413
 Raman3 Fr= 1--       0.669                  0.962                 22.496
 ROA3   Fr= 1--       1.658                -39.095                  8.114
 CID3   Fr= 1--       2.477                -40.655                  0.361
 RC180  Fr= 1--       0.070                  0.291                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
     2   6    -0.05   0.02   0.01     0.05  -0.04  -0.00    -0.00   0.00  -0.00
     3   6     0.05   0.00  -0.03    -0.03   0.00   0.01     0.01  -0.00  -0.01
     4   6    -0.02  -0.02   0.01     0.04   0.03  -0.00    -0.01   0.01   0.00
     5   8    -0.01   0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.14  -0.07   0.02    -0.15   0.13  -0.01     0.01  -0.01  -0.00
     9   1     0.09   0.05   0.00    -0.20  -0.07   0.03     0.03  -0.03  -0.05
    10   1     0.11   0.09  -0.01    -0.22  -0.10  -0.00     0.04  -0.03   0.03
    11   1    -0.03  -0.18  -0.05     0.02   0.17   0.04    -0.00   0.00  -0.00
    12   6    -0.00   0.01   0.07    -0.01  -0.02  -0.10     0.00   0.04  -0.01
    13   6    -0.11  -0.03   0.06    -0.06  -0.02   0.03     0.00  -0.04  -0.00
    14   1    -0.12  -0.09  -0.19     0.18   0.13   0.29     0.23  -0.37   0.17
    15   1     0.04   0.05  -0.26     0.03  -0.10   0.41     0.03   0.05  -0.24
    16   1     0.07  -0.08  -0.24    -0.06   0.20   0.35    -0.29  -0.23   0.23
    17   1     0.44   0.14  -0.04     0.30   0.11  -0.04    -0.24   0.44  -0.06
    18   1     0.28   0.23  -0.32     0.20   0.18  -0.20    -0.02   0.19   0.39
    19   1     0.38  -0.10  -0.28     0.27  -0.07  -0.19     0.16  -0.04  -0.24
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.4236              1507.4508              1512.0477
 Red. masses --      1.0512                 1.0588                 1.0620
 Frc consts  --      1.3813                 1.4176                 1.4305
 IR Inten    --      3.3729                10.8047                11.3274
 RamAct Fr= 1--      2.3550                 6.6194                 2.9092
  Dep-P Fr= 1--      0.6727                 0.7481                 0.7487
  Dep-U Fr= 1--      0.8044                 0.8559                 0.8563
 Alpha2 Fr= 1--      0.0032                 0.0002                 0.0001
 Beta2  Fr= 1--      0.3157                 0.9442                 0.4152
 AlphaG Fr= 1--     -0.0063                -0.0005                 0.0004
 Gamma2 Fr= 1--     -0.8324                 0.2768                -0.2108
 Delta2 Fr= 1--     -0.1016                 0.5467                -0.3808
 Raman1 Fr= 1--       9.420                 26.478                 11.637
 ROA1   Fr= 1--     -83.165                 44.066                -32.417
 CID1   Fr= 1--      -8.828                  1.664                 -2.786
 Raman2 Fr= 1--       3.789                 11.331                  4.982
 ROA2   Fr= 1--     -19.165                  2.269                 -2.012
 CID2   Fr= 1--      -5.059                  0.200                 -0.404
 Raman3 Fr= 1--       7.577                 22.662                  9.965
 ROA3   Fr= 1--     -83.165                 44.066                -32.417
 CID3   Fr= 1--     -10.976                  1.945                 -3.253
 RC180  Fr= 1--       0.609                  0.712                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   6    -0.02  -0.01   0.02    -0.02  -0.04  -0.02    -0.04   0.02  -0.02
     4   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.03   0.04  -0.01     0.02  -0.02  -0.00    -0.01   0.03   0.00
     9   1    -0.05   0.06   0.09    -0.03   0.01   0.02    -0.00  -0.07  -0.07
    10   1    -0.09   0.05  -0.04    -0.03   0.02  -0.01     0.05  -0.06   0.03
    11   1     0.00   0.01   0.00     0.00   0.02   0.01     0.00   0.02   0.00
    12   6    -0.04  -0.00   0.01    -0.01  -0.02   0.02    -0.03   0.02   0.01
    13   6     0.03  -0.01   0.03     0.00  -0.02  -0.03    -0.01   0.02  -0.02
    14   1    -0.11  -0.22  -0.24    -0.23   0.24  -0.23     0.04  -0.44  -0.12
    15   1     0.48  -0.10  -0.01     0.10  -0.07   0.21     0.47  -0.05  -0.18
    16   1     0.19   0.34   0.06     0.29   0.27  -0.19    -0.01   0.18   0.25
    17   1     0.13   0.30  -0.05    -0.36   0.17  -0.01    -0.07  -0.37   0.06
    18   1    -0.19  -0.28   0.01     0.10   0.35   0.38     0.17   0.18  -0.12
    19   1    -0.25   0.12  -0.39     0.34  -0.11   0.06     0.15  -0.08   0.40
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1521.5020              1846.4378              2947.3073
 Red. masses --      1.0887                12.7879                 1.0798
 Frc consts  --      1.4850                25.6874                 5.5266
 IR Inten    --      3.8991               396.9483                32.7322
 RamAct Fr= 1--      6.2715                20.6803                87.8110
  Dep-P Fr= 1--      0.6801                 0.2463                 0.1902
  Dep-U Fr= 1--      0.8096                 0.3953                 0.3196
 Alpha2 Fr= 1--      0.0077                 0.2476                 1.2237
 Beta2  Fr= 1--      0.8462                 1.3623                 4.6780
 AlphaG Fr= 1--      0.0188                -0.2023                -0.3397
 Gamma2 Fr= 1--      0.8604                -1.4232                -1.5217
 Delta2 Fr= 1--     -0.1053                -0.0393                -0.2675
 Raman1 Fr= 1--      25.086                 82.721                351.244
 ROA1   Fr= 1--      79.228               -137.881               -154.643
 CID1   Fr= 1--       3.158                 -1.667                 -0.440
 Raman2 Fr= 1--      10.155                 16.348                 56.136
 ROA2   Fr= 1--      21.492                -33.841                -34.380
 CID2   Fr= 1--       2.116                 -2.070                 -0.612
 Raman3 Fr= 1--      20.310                 32.696                112.271
 ROA3   Fr= 1--      79.228               -137.881               -154.643
 CID3   Fr= 1--       3.901                 -4.217                 -1.377
 RC180  Fr= 1--       0.619                 -0.209                 -0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.80  -0.19  -0.15     0.00   0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.05  -0.03   0.01     0.00   0.00  -0.08
     3   6     0.00   0.00  -0.01    -0.02  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.04  -0.07  -0.02    -0.05   0.02  -0.00    -0.00   0.00   0.00
     5   8     0.01  -0.01  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
     6   8    -0.01   0.00   0.00    -0.50   0.13   0.09    -0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     8   1     0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.06   0.00   0.99
     9   1    -0.27   0.32   0.53     0.00   0.04  -0.05     0.00  -0.00   0.00
    10   1    -0.38   0.51  -0.27     0.08  -0.00   0.04     0.00  -0.00  -0.02
    11   1    -0.00  -0.01  -0.00    -0.00   0.12   0.01     0.01  -0.00  -0.01
    12   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.04  -0.08   0.03     0.00  -0.02  -0.01    -0.00  -0.00   0.00
    15   1    -0.02   0.02  -0.08     0.02  -0.01   0.01     0.00   0.00   0.00
    16   1    -0.07  -0.08   0.03    -0.00   0.01   0.02     0.01  -0.01   0.00
    17   1    -0.06  -0.07   0.01    -0.00  -0.00   0.00    -0.01  -0.00  -0.03
    18   1     0.03   0.05   0.02     0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.04  -0.02   0.10     0.02  -0.00  -0.01     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3030.2103              3040.7838              3050.0035
 Red. masses --      1.0357                 1.0375                 1.0636
 Frc consts  --      5.6032                 5.6523                 5.8296
 IR Inten    --     19.2854                15.7264                38.7637
 RamAct Fr= 1--     89.2692               148.5303               206.0800
  Dep-P Fr= 1--      0.0088                 0.0197                 0.0484
  Dep-U Fr= 1--      0.0174                 0.0387                 0.0923
 Alpha2 Fr= 1--      1.9434                 3.1518                 4.0863
 Beta2  Fr= 1--      0.2595                 0.9568                 3.1710
 AlphaG Fr= 1--     -0.1160                -0.4198                 0.9101
 Gamma2 Fr= 1--      0.4950                -1.3347                 3.5467
 Delta2 Fr= 1--      0.0402                -0.7165                -3.3131
 Raman1 Fr= 1--     357.077                594.121                824.320
 ROA1   Fr= 1--      48.805               -151.061                234.469
 CID1   Fr= 1--       0.137                 -0.254                  0.284
 Raman2 Fr= 1--       3.114                 11.482                 38.052
 ROA2   Fr= 1--      11.558                -26.302                111.626
 CID2   Fr= 1--       3.711                 -2.291                  2.933
 Raman3 Fr= 1--       6.228                 22.963                 76.105
 ROA3   Fr= 1--      48.805               -151.061                234.469
 CID3   Fr= 1--       7.836                 -6.578                  3.081
 RC180  Fr= 1--      -0.965                 -0.923                 -0.815
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.02  -0.04  -0.05
     5   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.02
     9   1     0.02  -0.02   0.03     0.03  -0.05   0.06    -0.13   0.22  -0.24
    10   1     0.02  -0.03  -0.10     0.03  -0.04  -0.15    -0.15   0.27   0.85
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.01     0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.04  -0.00  -0.03     0.01   0.00  -0.01     0.01   0.00  -0.00
    14   1    -0.09  -0.03   0.05     0.51   0.15  -0.31     0.09   0.03  -0.05
    15   1     0.01   0.08   0.01    -0.07  -0.39  -0.05    -0.01  -0.06  -0.01
    16   1     0.10  -0.07   0.04    -0.49   0.34  -0.22    -0.07   0.05  -0.03
    17   1     0.08   0.10   0.58     0.01   0.02   0.11     0.01   0.01   0.06
    18   1    -0.46   0.35  -0.22    -0.07   0.05  -0.03    -0.08   0.06  -0.04
    19   1    -0.11  -0.45  -0.06    -0.02  -0.07  -0.01    -0.02  -0.09  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3090.1686              3099.1547              3103.8952
 Red. masses --      1.1018                 1.1021                 1.1013
 Frc consts  --      6.1992                 6.2369                 6.2514
 IR Inten    --     21.6981                26.7790                15.3657
 RamAct Fr= 1--     52.7845                58.3138                51.6042
  Dep-P Fr= 1--      0.7464                 0.7424                 0.7472
  Dep-U Fr= 1--      0.8548                 0.8521                 0.8553
 Alpha2 Fr= 1--      0.0032                 0.0076                 0.0025
 Beta2  Fr= 1--      7.5198                 8.2820                 7.3561
 AlphaG Fr= 1--      0.0057                 0.0054                -0.0008
 Gamma2 Fr= 1--     -0.6496                -6.2094                -6.3487
 Delta2 Fr= 1--     -0.7256                -0.9413                -6.3007
 Raman1 Fr= 1--     211.138                233.255                206.417
 ROA1   Fr= 1--     -85.577               -626.227               -811.096
 CID1   Fr= 1--      -0.405                 -2.685                 -3.929
 Raman2 Fr= 1--      90.237                 99.384                 88.274
 ROA2   Fr= 1--      -9.785               -141.496               -101.963
 CID2   Fr= 1--      -0.108                 -1.424                 -1.155
 Raman3 Fr= 1--     180.475                198.768                176.547
 ROA3   Fr= 1--     -85.577               -626.227               -811.096
 CID3   Fr= 1--      -0.474                 -3.151                 -4.594
 RC180  Fr= 1--       0.710                  0.704                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00   0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   1    -0.02   0.03  -0.03    -0.01   0.02  -0.02    -0.03   0.05  -0.05
    10   1    -0.00   0.00   0.01     0.00  -0.01  -0.02     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.01  -0.00  -0.00    -0.09   0.01   0.01     0.01   0.01  -0.00
    13   6    -0.05   0.03  -0.07    -0.01  -0.00  -0.01    -0.01  -0.08  -0.03
    14   1    -0.09  -0.03   0.06     0.58   0.18  -0.37    -0.06  -0.02   0.04
    15   1     0.01   0.03   0.00    -0.02   0.01   0.00    -0.01  -0.07  -0.01
    16   1    -0.07   0.05  -0.03     0.51  -0.37   0.25    -0.02   0.02  -0.01
    17   1     0.07   0.13   0.65     0.01   0.02   0.12     0.05   0.05   0.40
    18   1     0.54  -0.41   0.23     0.07  -0.06   0.03    -0.20   0.13  -0.10
    19   1    -0.04  -0.10  -0.03     0.01   0.05   0.00     0.22   0.83   0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3120.5568              3127.0583              3723.3763
 Red. masses --      1.1028                 1.1000                 1.0656
 Frc consts  --      6.3270                 6.3375                 8.7043
 IR Inten    --     16.1869                14.2538                63.8405
 RamAct Fr= 1--     79.5737                60.8623                51.6499
  Dep-P Fr= 1--      0.4401                 0.7084                 0.1350
  Dep-U Fr= 1--      0.6112                 0.8293                 0.2379
 Alpha2 Fr= 1--      0.5073                 0.0440                 0.8293
 Beta2  Fr= 1--      8.1064                 8.4121                 2.0476
 AlphaG Fr= 1--     -0.1357                 0.0715                 0.3453
 Gamma2 Fr= 1--      4.0434                 8.2392                 2.3518
 Delta2 Fr= 1--      6.9163                 2.6343                 0.2236
 Raman1 Fr= 1--     318.295                243.449                206.599
 ROA1   Fr= 1--     609.488                875.264                232.924
 CID1   Fr= 1--       1.915                  3.595                  1.127
 Raman2 Fr= 1--      97.277                100.945                 24.571
 ROA2   Fr= 1--      41.712                176.667                 54.653
 CID2   Fr= 1--       0.429                  1.750                  2.224
 Raman3 Fr= 1--     194.553                201.890                 49.142
 ROA3   Fr= 1--     609.488                875.264                232.924
 CID3   Fr= 1--       3.133                  4.335                  4.740
 RC180  Fr= 1--       0.222                  0.659                 -0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.04  -0.08     0.00  -0.01   0.01     0.00   0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.01   0.01
     8   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     9   1     0.35  -0.60   0.60    -0.06   0.11  -0.11    -0.00  -0.00   0.00
    10   1    -0.06   0.12   0.31     0.01  -0.02  -0.06    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.97  -0.16  -0.18
    12   6    -0.00  -0.02   0.00    -0.01  -0.09   0.01     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00   0.00
    14   1     0.05   0.01  -0.03     0.22   0.05  -0.13     0.00   0.00  -0.00
    15   1     0.03   0.16   0.03     0.17   0.87   0.13    -0.00  -0.00  -0.00
    16   1    -0.02   0.01  -0.00    -0.24   0.15  -0.11     0.00  -0.00   0.00
    17   1     0.01   0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01  -0.01   0.00    -0.03   0.02  -0.01     0.00  -0.00   0.00
    19   1     0.02   0.06   0.01     0.02   0.06   0.01    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   745.200861147.531651480.22458
           X            0.99957  -0.02938  -0.00076
           Y            0.02939   0.99953   0.00922
           Z            0.00049  -0.00924   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11623     0.07548     0.05851
 Rotational constants (GHZ):           2.42182     1.57272     1.21923
 Zero-point vibrational energy     415752.2 (Joules/Mol)
                                   99.36716 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    139.61   271.37   306.36   331.27   371.11
          (Kelvin)            375.10   431.24   495.37   515.65   554.60
                              736.86   788.34   809.86   936.74  1038.59
                             1163.77  1287.26  1315.75  1367.33  1394.84
                             1449.10  1476.95  1509.93  1626.49  1698.49
                             1715.97  1763.97  1793.18  1811.72  1888.84
                             1966.89  2007.02  2014.19  2030.71  2065.82
                             2137.43  2148.70  2168.89  2175.50  2189.10
                             2656.61  4240.52  4359.80  4375.01  4388.27
                             4446.06  4458.99  4465.81  4489.79  4499.14
                             5357.11
 
 Zero-point correction=                           0.158352 (Hartree/Particle)
 Thermal correction to Energy=                    0.167336
 Thermal correction to Enthalpy=                  0.168280
 Thermal correction to Gibbs Free Energy=         0.125241
 Sum of electronic and zero-point Energies=           -460.398965
 Sum of electronic and thermal Energies=              -460.389980
 Sum of electronic and thermal Enthalpies=            -460.389036
 Sum of electronic and thermal Free Energies=         -460.432075
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.005             34.185             90.583
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.628
 Vibrational            103.228             28.223             21.454
 Vibration     1          0.603              1.951              3.513
 Vibration     2          0.633              1.856              2.241
 Vibration     3          0.644              1.821              2.018
 Vibration     4          0.652              1.795              1.877
 Vibration     5          0.667              1.749              1.676
 Vibration     6          0.669              1.745              1.657
 Vibration     7          0.692              1.674              1.418
 Vibration     8          0.723              1.587              1.192
 Vibration     9          0.733              1.558              1.129
 Vibration    10          0.754              1.501              1.018
 Vibration    11          0.867              1.223              0.628
 Vibration    12          0.903              1.144              0.548
 Vibration    13          0.919              1.112              0.518
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.247195D-57        -57.606960       -132.644927
 Total V=0       0.169699D+16         15.229678         35.067631
 Vib (Bot)       0.105276D-70        -70.977673       -163.432131
 Vib (Bot)    1  0.211618D+01          0.325552          0.749611
 Vib (Bot)    2  0.106166D+01          0.025984          0.059829
 Vib (Bot)    3  0.931674D+00         -0.030736         -0.070772
 Vib (Bot)    4  0.855337D+00         -0.067863         -0.156259
 Vib (Bot)    5  0.753788D+00         -0.122751         -0.282645
 Vib (Bot)    6  0.744748D+00         -0.127991         -0.294709
 Vib (Bot)    7  0.634602D+00         -0.197499         -0.454757
 Vib (Bot)    8  0.537846D+00         -0.269342         -0.620183
 Vib (Bot)    9  0.511972D+00         -0.290754         -0.669486
 Vib (Bot)   10  0.467256D+00         -0.330446         -0.760879
 Vib (Bot)   11  0.317437D+00         -0.498343         -1.147477
 Vib (Bot)   12  0.286982D+00         -0.542146         -1.248337
 Vib (Bot)   13  0.275345D+00         -0.560123         -1.289731
 Vib (V=0)       0.722713D+02          1.858966          4.280426
 Vib (V=0)    1  0.267444D+01          0.427233          0.983741
 Vib (V=0)    2  0.167350D+01          0.223627          0.514920
 Vib (V=0)    3  0.155736D+01          0.192390          0.442994
 Vib (V=0)    4  0.149076D+01          0.173407          0.399285
 Vib (V=0)    5  0.140454D+01          0.147535          0.339711
 Vib (V=0)    6  0.139702D+01          0.145203          0.334343
 Vib (V=0)    7  0.130791D+01          0.116578          0.268431
 Vib (V=0)    8  0.123436D+01          0.091440          0.210549
 Vib (V=0)    9  0.121562D+01          0.084799          0.195256
 Vib (V=0)   10  0.118434D+01          0.073478          0.169190
 Vib (V=0)   11  0.109226D+01          0.038324          0.088244
 Vib (V=0)   12  0.107651D+01          0.032016          0.073720
 Vib (V=0)   13  0.107080D+01          0.029709          0.068408
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.402743D+06          5.605028         12.906055
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333333  2                                     1      1111111111111111 1 111                                  
     7                11100000  9                                     8      5554444433322211 1 0009998  8  7 6  555  333322221      
     2                22099543  4                                     4      2109831096154298 3 4206519  0  2 5  641  854065318  9   
     3                71490010  7                                     6      2273661057396631 0 9779045  9  2 1  382  584018039  7   
 
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012239   -0.000009178    0.000003171
      2        6           0.000000981    0.000006489   -0.000000218
      3        6           0.000001909    0.000004565    0.000008661
      4        6          -0.000006395    0.000002771    0.000000441
      5        8           0.000009136   -0.000005550   -0.000001346
      6        8           0.000000887    0.000001750    0.000000212
      7        8           0.000000812    0.000002869   -0.000001188
      8        1           0.000002937    0.000000729    0.000000675
      9        1           0.000001086    0.000000457   -0.000001954
     10        1          -0.000004314    0.000004280    0.000002331
     11        1           0.000000390   -0.000002630    0.000000848
     12        6           0.000001448   -0.000005122   -0.000001887
     13        6           0.000001857   -0.000006042    0.000002440
     14        1           0.000004992    0.000004294    0.000000736
     15        1          -0.000004988    0.000002745   -0.000004991
     16        1          -0.000000877    0.000001391    0.000001122
     17        1           0.000001996    0.000000374   -0.000003987
     18        1          -0.000004236   -0.000002051   -0.000001834
     19        1           0.000004618   -0.000002138   -0.000003234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012239 RMS     0.000003964
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.909881D+02 -0.431146D+01 -0.166861D+01
      2  -0.431146D+01  0.790727D+02  0.736350D+00
      3  -0.166861D+01  0.736350D+00  0.723462D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.878326D+00 -0.100929D+01 -0.810691D+00
      2   0.317454D+01  0.738501D+00  0.341938D+02
      3  -0.131528D+02 -0.191221D+02 -0.889386D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.328817D+02  0.131324D+02  0.520230D+01
      2  -0.191002D+02 -0.620822D+01 -0.108377D+01
      3  -0.137815D+02 -0.692414D+01 -0.411853D+01
      4   0.291240D+01  0.499964D+02  0.298944D+00
      5   0.841494D+01  0.365143D+00  0.779505D+02
      6  -0.478758D+00  0.496768D+01 -0.343126D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.723276D+01 -0.273892D+01 -0.347312D+00 -0.135545D+01 -0.125252D+01
      2  -0.273892D+01  0.546720D+00  0.122315D+00 -0.125252D+01  0.178018D-01
      3  -0.347312D+00  0.122315D+00  0.231687D+00  0.165824D+00  0.130438D+00
                 6             7             8             9            10 
      1   0.165824D+00 -0.151587D+01  0.848425D-01  0.202826D+00 -0.339687D+01
      2   0.130438D+00  0.848425D-01 -0.392383D+00 -0.355025D+00  0.272503D+01
      3  -0.648297D+00  0.202826D+00 -0.355025D+00 -0.827508D+00 -0.138011D+01
                11            12            13            14            15 
      1   0.272503D+01 -0.138011D+01  0.313364D+01  0.561592D+00 -0.118848D+00
      2  -0.142063D-01  0.439178D-01  0.561592D+00 -0.110358D+01 -0.410629D+00
      3   0.439178D-01 -0.722399D+00 -0.118848D+00 -0.410629D+00  0.204558D+01
                16            17            18            19            20 
      1  -0.104124D+01  0.683608D+00 -0.892439D+00  0.207823D+01 -0.197649D+01
      2   0.683608D+00 -0.102153D+01  0.706074D+00 -0.197649D+01  0.296592D+01
      3  -0.892439D+00  0.706074D+00  0.725256D+01  0.346808D+01  0.592942D-01
                21            22            23            24            25 
      1   0.346808D+01 -0.221110D+01  0.288111D+01 -0.180422D+00  0.408014D+01
      2   0.592942D-01  0.288111D+01  0.343078D+01  0.150902D+01 -0.808457D-01
      3  -0.630718D+00 -0.180422D+00  0.150902D+01 -0.181006D+01 -0.622994D+00
                26            27            28            29            30 
      1  -0.808457D-01 -0.622994D+00  0.176761D+01  0.283901D+00 -0.106222D+01
      2   0.118704D+01 -0.182969D+01  0.283901D+00 -0.305895D+01 -0.150848D+00
      3  -0.182969D+01 -0.622494D+01 -0.106222D+01 -0.150848D+00 -0.245790D+01
                31            32            33            34            35 
      1   0.241647D+00 -0.292254D+01  0.398279D+00 -0.100489D+01  0.196799D+00
      2  -0.292254D+01 -0.949507D+00 -0.137575D+01  0.196799D+00 -0.123535D+01
      3   0.398279D+00 -0.137575D+01  0.248696D+01 -0.181190D+01  0.373631D+01
                36            37            38            39            40 
      1  -0.181190D+01 -0.352760D+01 -0.219629D+01  0.301304D+00 -0.214990D+01
      2   0.373631D+01 -0.219629D+01 -0.548502D+00  0.310018D+00 -0.433904D+00
      3   0.374311D+01  0.301304D+00  0.310018D+00  0.723435D+00 -0.124445D+00
                41            42            43            44            45 
      1  -0.433904D+00 -0.124445D+00  0.669447D+00  0.237118D+00 -0.445686D+00
      2  -0.506127D+01  0.475407D+00  0.237118D+00  0.503588D+00 -0.144111D+01
      3   0.475407D+00 -0.846803D+00 -0.445686D+00 -0.144111D+01  0.544833D+00
                46            47            48            49            50 
      1  -0.168519D+02  0.272377D+01  0.884506D+00  0.171183D+01 -0.311835D+01
      2   0.272377D+01 -0.338500D+01 -0.193412D+00 -0.311835D+01  0.228077D+01
      3   0.884506D+00 -0.193412D+00 -0.200674D+01 -0.883851D-01  0.335243D+00
                51            52            53            54            55 
      1  -0.883851D-01  0.206345D+01 -0.247200D+00 -0.355409D+01  0.379283D+01
      2   0.335243D+00 -0.247200D+00  0.614238D+00  0.805928D+00 -0.264355D+00
      3   0.751201D+00 -0.355409D+01  0.805928D+00  0.121079D+01  0.305735D-01
                56            57            58            59            60 
      1  -0.264355D+00  0.305735D-01 -0.218814D+00 -0.160876D+00  0.279470D+00
      2   0.309734D+01  0.230332D+00 -0.160876D+00  0.624086D+01 -0.209476D+00
      3   0.230332D+00  0.999329D+00  0.279470D+00 -0.209476D+00 -0.524709D+00
                61            62            63            64            65 
      1  -0.646396D+00 -0.195155D-01  0.308726D+00  0.893936D+00 -0.391283D+00
      2  -0.195155D-01  0.153780D+00  0.113053D+01 -0.391283D+00 -0.676073D-01
      3   0.308726D+00  0.113053D+01 -0.296725D+00 -0.114500D+01  0.787514D-01
                66            67            68            69            70 
      1  -0.114500D+01 -0.534114D+00 -0.218376D+00  0.641292D-01 -0.172976D+01
      2   0.787514D-01 -0.218376D+00  0.474102D+00 -0.133026D+01 -0.689753D-02
      3   0.259806D+00  0.641292D-01 -0.133026D+01 -0.199362D+00  0.951752D-01
                71            72            73            74            75 
      1  -0.689753D-02  0.951752D-01  0.169490D+01 -0.166951D+01  0.112519D+01
      2  -0.165863D+01  0.447732D+00 -0.166951D+01  0.228948D+01 -0.673260D+00
      3   0.447732D+00 -0.936458D+01  0.112519D+01 -0.673260D+00  0.104788D+01
                76            77            78            79            80 
      1  -0.147117D+01  0.196358D+01 -0.530920D+00  0.155435D+01 -0.909041D+00
      2   0.196358D+01 -0.553945D+01  0.193991D+01 -0.909041D+00  0.325954D+01
      3  -0.530920D+00  0.193991D+01 -0.177063D+01  0.124444D+01 -0.248292D+01
                81            82            83            84            85 
      1   0.124444D+01  0.737354D+00 -0.831612D+00 -0.134924D+01 -0.519374D+00
      2  -0.248292D+01 -0.831612D+00  0.858721D+00  0.507310D+00  0.100595D+01
      3   0.204511D+01 -0.134924D+01  0.507310D+00  0.102983D+01  0.255842D+00
                86            87            88            89            90 
      1   0.100595D+01  0.255842D+00 -0.208769D+01  0.465967D+00  0.140199D+01
      2  -0.255369D+01 -0.183672D+01  0.465967D+00 -0.288204D+01 -0.350852D+01
      3  -0.183672D+01 -0.187857D+01  0.140199D+01 -0.350852D+01 -0.638041D+01
                91            92            93            94            95 
      1  -0.451912D+01  0.203403D+01  0.420924D+00  0.141013D+01 -0.117957D+01
      2   0.203403D+01 -0.361576D+01 -0.272317D+00 -0.117957D+01  0.148569D+01
      3   0.420924D+00 -0.272317D+00 -0.104842D+01 -0.173601D+00  0.108327D+00
                96            97            98            99           100 
      1  -0.173601D+00  0.867296D+00 -0.328271D+00 -0.560425D+00  0.367874D-01
      2   0.108327D+00 -0.328271D+00  0.708471D+00  0.629337D+00  0.263240D+01
      3   0.537315D+00 -0.560425D+00  0.629337D+00  0.388768D+00 -0.438123D+01
               101           102           103           104           105 
      1   0.263240D+01 -0.438123D+01  0.283712D+01 -0.252006D+01  0.388926D+00
      2  -0.199197D+01  0.331583D+00 -0.252006D+01 -0.435938D+01 -0.241478D+01
      3   0.331583D+00  0.120770D+01  0.388926D+00 -0.241478D+01  0.185062D+01
               106           107           108           109           110 
      1  -0.399033D+01  0.227532D+00  0.129327D+01 -0.114179D+01  0.247776D+01
      2   0.227532D+00 -0.126101D+01  0.174305D+01  0.247776D+01 -0.296304D+01
      3   0.129327D+01  0.174305D+01  0.376329D+01 -0.319758D+01  0.273070D+00
               111           112           113           114           115 
      1  -0.319758D+01  0.271182D+01 -0.361912D+01  0.271135D+00 -0.355524D+01
      2   0.273070D+00 -0.361912D+01 -0.434476D+01 -0.919226D+00  0.268110D+00
      3   0.138088D+01  0.271135D+00 -0.919226D+00  0.165188D+01  0.677474D+00
               116           117           118           119           120 
      1   0.268110D+00  0.677474D+00 -0.399102D+01 -0.852778D+00  0.241118D+01
      2  -0.104837D+01  0.151567D+01 -0.852778D+00 -0.836142D+00  0.244250D+00
      3   0.151567D+01  0.648097D+01  0.241118D+01  0.244250D+00 -0.357790D+01
               121           122           123           124           125 
      1  -0.982791D+00 -0.604494D+00  0.346676D+00  0.204521D+01  0.211547D+00
      2  -0.604494D+00 -0.102217D+00  0.102536D+01  0.211547D+00  0.771560D+00
      3   0.346676D+00  0.102536D+01 -0.110458D+01 -0.214142D+01 -0.624815D+00
               126           127           128           129           130 
      1  -0.214142D+01  0.836803D+00  0.969015D+00  0.943553D+00  0.146416D+01
      2  -0.624815D+00  0.969015D+00  0.117055D+01  0.387773D+00  0.163011D+01
      3   0.365669D+01  0.943553D+00  0.387773D+00  0.282287D+00  0.746902D+00
               131           132           133           134           135 
      1   0.163011D+01  0.746902D+00  0.605550D+00  0.323112D+00  0.249347D+00
      2   0.663221D+01  0.228525D+01  0.323112D+00  0.127040D+01  0.121688D+01
      3   0.228525D+01  0.241854D+01  0.249347D+00  0.121688D+01  0.815261D+00
               136           137           138           139           140 
      1   0.493031D+01 -0.178444D+01  0.293302D+01 -0.241549D+01  0.184421D+01
      2  -0.178444D+01  0.171200D+01 -0.849356D+00  0.184421D+01 -0.156183D+01
      3   0.293302D+01 -0.849356D+00  0.254300D+01 -0.124273D+01  0.145727D+01
               141           142           143           144           145 
      1  -0.124273D+01  0.198867D+01 -0.669002D+00  0.175275D+01 -0.163649D+00
      2   0.145727D+01 -0.669002D+00  0.841557D+00 -0.113186D+01 -0.409327D+00
      3  -0.205626D+01  0.175275D+01 -0.113186D+01  0.223673D+01 -0.749186D+00
               146           147           148           149           150 
      1  -0.409327D+00 -0.749186D+00 -0.722650D+00  0.505435D+00  0.141741D+00
      2   0.583652D-01 -0.425496D-01  0.505435D+00 -0.244762D-01 -0.108962D+01
      3  -0.425496D-01 -0.427339D+00  0.141741D+00 -0.108962D+01 -0.109090D+01
               151           152           153           154           155 
      1  -0.161754D+01 -0.561611D-01  0.130549D+01  0.749485D+01 -0.236385D+01
      2  -0.561611D-01 -0.111745D+01 -0.639725D+00 -0.236385D+01  0.196338D+01
      3   0.130549D+01 -0.639725D+00 -0.893397D+01  0.860375D+00 -0.308583D+00
               156           157           158           159           160 
      1   0.860375D+00 -0.381133D+01  0.252524D+01 -0.183599D+00  0.242281D+01
      2  -0.308583D+00  0.252524D+01 -0.178745D+01  0.456660D+00 -0.493902D+00
      3   0.972714D+00 -0.183599D+00  0.456660D+00 -0.104682D+01  0.105714D+01
               161           162           163           164           165 
      1  -0.493902D+00  0.105714D+01  0.209560D+01  0.163295D+01  0.233162D+00
      2   0.796183D+00 -0.745911D+00  0.163295D+01  0.181871D+01 -0.982899D-01
      3  -0.745911D+00  0.327343D+00  0.233162D+00 -0.982899D-01  0.192872D+00
               166           167           168           169           170 
      1   0.288185D+01  0.311258D+01 -0.415974D+00  0.892037D+00  0.112199D+00
      2   0.311258D+01  0.682540D+01 -0.136419D+00  0.112199D+00  0.510413D+00
      3  -0.415974D+00 -0.136419D+00  0.123491D+01  0.440312D+00  0.828067D+00
               171 
      1   0.440312D+00
      2   0.828067D+00
      3  -0.437336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.812253D+00  0.345066D+01 -0.910689D+00  0.278238D+01  0.167163D+01
      2  -0.193441D+01 -0.295750D+01 -0.103056D+02 -0.193368D+01 -0.826622D+00
      3  -0.202459D+01  0.781245D+01  0.109307D+01  0.314824D+00 -0.425791D+01
                 6             7             8             9            10 
      1   0.438594D+01  0.119558D+01  0.119445D+02 -0.197136D+01  0.248427D+00
      2   0.250842D+01 -0.131692D+02 -0.301685D+01  0.369518D+01 -0.343784D+01
      3  -0.155577D+01  0.254780D+01 -0.525082D+01  0.145796D+00  0.125871D+01
                11            12            13            14            15 
      1  -0.898326D+00 -0.250847D+01 -0.196449D+01  0.968491D+00 -0.128066D+01
      2   0.236089D+01  0.157864D+01  0.406433D+01  0.345759D+00  0.313640D+01
      3  -0.228777D+01 -0.735572D+00  0.697972D+01 -0.655732D+00  0.111256D+01
                16            17            18            19            20 
      1  -0.914593D+00  0.243225D+01 -0.155836D+01 -0.666971D+00 -0.137216D+00
      2  -0.287509D+01  0.103008D+01 -0.499273D+01  0.801118D+01 -0.265378D+00
      3  -0.833114D+00  0.209544D+01 -0.193843D+01  0.281832D+01 -0.878854D+01
                21            22            23            24            25 
      1   0.718534D+00 -0.150673D+00  0.631989D+00 -0.600177D+01  0.358459D+00
      2   0.428303D+01 -0.987841D+00  0.183767D+01 -0.237977D+01 -0.531567D+01
      3   0.117772D+00 -0.284794D+00 -0.623879D+01 -0.274849D+01  0.817586D+00
                26            27            28            29            30 
      1   0.246278D+01 -0.818372D+00  0.131841D+00  0.183458D+01 -0.448616D+01
      2  -0.252588D+01 -0.434607D+01 -0.178297D+01  0.635219D+00 -0.229109D+01
      3  -0.236663D+01  0.193636D+01 -0.882666D+01  0.116716D+01  0.570735D+00
                31            32            33            34            35 
      1   0.283569D+01 -0.364659D+01  0.525110D+01 -0.320911D+01  0.125488D+02
      2  -0.162358D+00 -0.249564D+01  0.192750D+01 -0.619734D+01  0.468024D+01
      3   0.405215D+01  0.657246D+01  0.173185D+01  0.192176D+00  0.140174D+01
                36            37            38            39            40 
      1   0.619793D+01 -0.510690D+00 -0.143489D+01 -0.153261D+00  0.131537D+01
      2   0.272538D+01 -0.285614D+00  0.116629D+01  0.619783D+01  0.386346D+00
      3   0.162985D+01  0.870120D+01 -0.244052D+01 -0.893193D+00  0.117465D+02
                41            42            43            44            45 
      1   0.148278D+01 -0.647494D+01 -0.437568D+01 -0.181770D+01  0.180729D+01
      2  -0.259214D+00 -0.798355D+00 -0.302738D+01  0.347614D+01 -0.144531D+01
      3  -0.433818D+01 -0.194253D+00 -0.294666D+01  0.437017D+00 -0.271769D+00
                46            47            48            49            50 
      1   0.122907D+01 -0.926972D+00  0.153844D+01 -0.106814D+01 -0.316502D+00
      2  -0.283649D+01  0.330523D+00  0.145990D+02  0.880471D+00 -0.577545D+00
      3   0.844343D+01 -0.193217D+02 -0.613686D+00 -0.276534D+01  0.849552D+01
                51            52            53            54            55 
      1  -0.362402D+01 -0.198691D+01  0.655090D+00  0.660810D+00  0.147987D+01
      2  -0.194334D+01  0.451924D+01  0.714234D+00 -0.431070D+01 -0.279670D+00
      3   0.819129D+00 -0.372951D+00  0.414685D+01  0.273916D+01  0.124690D+02
                56            57            58            59            60 
      1  -0.136543D+01 -0.159647D+01  0.105578D+00 -0.353240D+01 -0.615404D+01
      2   0.713828D+00  0.145513D+01 -0.627005D+00 -0.713701D+00 -0.952583D+00
      3  -0.132767D+01 -0.105038D+01  0.562570D+01  0.374331D+01  0.255732D+00
                61            62            63            64            65 
      1  -0.668818D+00  0.159901D+01 -0.207188D+01  0.272075D+00 -0.157099D+00
      2  -0.359884D+01  0.384334D+00 -0.109766D+00  0.224954D+01 -0.288808D+00
      3  -0.142955D+01  0.269675D+00  0.160209D+01  0.609878D+00 -0.967903D+00
                66            67            68            69            70 
      1   0.273550D+00 -0.428166D+00  0.621956D+00  0.794947D+00 -0.517617D+00
      2  -0.498062D+00 -0.983882D+00  0.507173D+00  0.207381D-01 -0.440528D+01
      3  -0.608192D+00  0.270712D+00  0.112054D+00 -0.404760D+00 -0.844084D+00
                71            72            73            74            75 
      1   0.377949D+01  0.465273D+01  0.270623D+01 -0.160350D+01  0.280864D+01
      2   0.287585D+00  0.349125D+01  0.811591D+00 -0.766602D+00  0.202527D+01
      3  -0.731867D+00  0.581469D+00 -0.261604D+01  0.522864D-01 -0.178827D+01
                76            77            78            79            80 
      1  -0.178020D+01  0.450991D+01 -0.536724D+01  0.301353D+01 -0.391528D+01
      2   0.218173D+00  0.182906D+01 -0.196525D+01 -0.262509D-01 -0.223040D+01
      3   0.404865D+01 -0.606654D+00 -0.211717D+00 -0.373731D+01 -0.110582D+01
                81            82            83            84            85 
      1   0.574260D+01 -0.254732D+01  0.160575D+00  0.200719D+01 -0.166297D+00
      2   0.215807D+01  0.141814D+00 -0.218168D+00  0.583279D+00 -0.521875D+00
      3  -0.102358D+01 -0.140410D+01 -0.294588D+00  0.250681D+01  0.135032D+01
                86            87            88            89            90 
      1  -0.181977D+01 -0.407251D+01  0.309811D+01 -0.280321D+01 -0.115978D+02
      2  -0.808032D+00 -0.146027D+01 -0.224980D+01 -0.238385D+01 -0.431320D+01
      3  -0.109092D+01  0.484382D+00  0.515721D+01  0.105813D+01 -0.136603D+01
                91            92            93            94            95 
      1  -0.213508D+01  0.144884D+01  0.261897D+01  0.324224D+00 -0.698866D+00
      2  -0.361169D+00  0.136583D+00  0.166256D+01  0.120925D+00  0.715221D-01
      3  -0.126528D+02 -0.458683D+00  0.135495D+01  0.144176D+01 -0.243554D+01
                96            97            98            99           100 
      1  -0.129758D+01  0.804499D+00 -0.518022D+00 -0.106763D+01  0.601280D+01
      2  -0.679155D+00 -0.346695D+00 -0.725543D+00 -0.366951D+00 -0.600157D+01
      3  -0.841469D-01  0.211560D+01 -0.335405D+00 -0.476947D+00 -0.326919D+01
               101           102           103           104           105 
      1  -0.398798D+01 -0.228392D+00 -0.520889D+01 -0.881482D+01 -0.895190D+01
      2  -0.431901D+01  0.144046D+02 -0.459425D+01  0.127817D+01  0.174477D+01
      3   0.163039D+01 -0.214104D+01  0.679316D+01  0.533304D+01  0.324987D+01
               106           107           108           109           110 
      1   0.494122D+00 -0.202906D+01  0.307629D+01 -0.123285D+01  0.306116D+01
      2   0.700557D+01  0.168092D+01  0.138491D+01 -0.109826D+02  0.274266D+01
      3  -0.149885D+01  0.220463D+01 -0.192408D+01 -0.717209D+01  0.678189D+01
               111           112           113           114           115 
      1  -0.669543D+00  0.407277D+01  0.457510D+01 -0.184613D+01  0.349538D+00
      2   0.189994D+01  0.308535D+01 -0.566468D+01  0.458484D+01 -0.502332D+01
      3  -0.141111D+01  0.155972D+02  0.112264D+02  0.156830D+01 -0.185285D+01
               116           117           118           119           120 
      1   0.228275D+01 -0.350209D+01 -0.229876D+01 -0.283208D+01  0.892747D+00
      2   0.372499D+01  0.184951D+02  0.130912D+02  0.238433D+01 -0.641017D+01
      3   0.284318D+01 -0.395723D+01 -0.123367D+00 -0.875238D+00  0.352891D+00
               121           122           123           124           125 
      1  -0.150119D+01 -0.618656D+00  0.947160D+00  0.107847D+01  0.291355D+01
      2   0.288949D+01  0.240560D+01 -0.162581D+01 -0.826410D+01 -0.121011D+01
      3   0.132185D+01 -0.118587D+00 -0.105232D+01  0.162128D-01 -0.612711D-01
               126           127           128           129           130 
      1  -0.174880D+01  0.131927D+01  0.197650D+01  0.283356D+00  0.237440D+01
      2   0.727935D+01  0.302922D+00 -0.991422D+00 -0.148290D+00 -0.217374D+01
      3   0.857480D-01 -0.696417D+00 -0.188063D+01 -0.252036D+00  0.846685D+00
               131           132           133           134           135 
      1   0.128837D+02  0.401673D+00  0.774234D+00  0.280013D+01  0.166455D+01
      2   0.588130D+00  0.261470D+01 -0.151246D+01  0.944693D+00  0.719843D+00
      3  -0.926129D+01 -0.263430D+01 -0.321709D-01 -0.156896D+01 -0.177601D+01
               136           137           138           139           140 
      1  -0.405529D+01  0.442136D+01 -0.122528D+01  0.351042D+01 -0.378008D+01
      2  -0.534821D+01  0.233655D+01  0.633918D+00  0.344997D+01 -0.133522D+01
      3   0.243469D+01 -0.441201D+01  0.152723D+01 -0.156199D+01  0.321891D+01
               141           142           143           144           145 
      1   0.141470D+01 -0.171014D+01  0.297168D+01 -0.208836D+01  0.581732D+00
      2  -0.136918D+01 -0.292669D+01 -0.146118D+00  0.503828D+00 -0.268574D+01
      3  -0.200249D+01  0.887699D+00 -0.177848D+01  0.184161D+01  0.100432D+01
               146           147           148           149           150 
      1   0.198712D+00  0.413149D-01 -0.255723D+00  0.604283D+00  0.353962D+00
      2  -0.482273D+00 -0.641092D+00 -0.877824D+00 -0.199208D+01 -0.269359D+01
      3  -0.909841D+00 -0.833349D-01 -0.381720D+00  0.238031D+00  0.248867D+01
               151           152           153           154           155 
      1  -0.332841D-01  0.405134D+01  0.270854D+01  0.189214D+01 -0.142718D+01
      2  -0.210229D+01 -0.199491D+01 -0.214726D+02  0.828559D+01 -0.319557D+01
      3   0.140596D+00  0.299114D+01  0.192572D+01  0.685250D+01 -0.773251D+01
               156           157           158           159           160 
      1   0.100169D+01 -0.173099D+01  0.110973D+01 -0.168733D+01  0.247232D+00
      2   0.559236D+01 -0.342750D+01  0.342203D+01 -0.425433D+01  0.329030D+01
      3   0.120717D+01 -0.550690D+01  0.615155D+01 -0.154323D+01  0.133320D+01
               161           162           163           164           165 
      1   0.227675D+00  0.889023D+00 -0.161425D+01 -0.178171D+01 -0.406183D+00
      2  -0.243994D+01  0.231901D+01  0.220748D+01  0.104747D+01  0.156316D+01
      3  -0.282594D+01  0.212670D+01 -0.365359D+01 -0.529394D+01  0.474818D+00
               166           167           168           169           170 
      1  -0.223108D+01 -0.620155D+01 -0.297571D+01 -0.150896D+00 -0.383496D-01
      2   0.119490D+01  0.238761D+01  0.358427D+01  0.727055D+00  0.190141D+01
      3  -0.439019D+01 -0.182387D+02 -0.115683D+00  0.339450D+00 -0.142263D+01
               171 
      1  -0.603733D+00
      2  -0.577884D+00
      3  -0.188042D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.491830D+02  0.302438D+01  0.563225D+00  0.128187D+02  0.821251D+01
      2   0.278418D+02  0.135681D+01 -0.337160D+01 -0.889821D+01 -0.108573D+02
      3   0.213412D+02 -0.438119D+01  0.280837D+01 -0.392050D+01  0.264479D+01
      4   0.102637D+02 -0.124916D+02 -0.116946D+00 -0.949272D+00  0.689063D+01
      5   0.223197D+01  0.344926D+00 -0.145656D+02 -0.972351D+00  0.510128D+00
      6  -0.513284D-02 -0.201451D+00  0.399287D+01 -0.209862D+00  0.178683D+00
                 6             7             8             9            10 
      1  -0.224988D+01  0.916059D+01 -0.225249D+01 -0.643667D+01 -0.268118D+01
      2   0.660822D+00 -0.657595D+01  0.206323D+00 -0.335757D+01  0.592856D+01
      3   0.158906D+01 -0.258464D+01  0.204617D+01  0.979424D+01 -0.324737D+01
      4   0.647770D+00 -0.620435D+00  0.299930D+01  0.135053D+01 -0.266596D+01
      5   0.831088D+01  0.373490D+01  0.813677D-01  0.614844D+01 -0.136731D+01
      6  -0.505835D+01  0.671022D+00  0.201848D+01  0.122840D+01 -0.654466D+00
                11            12            13            14            15 
      1  -0.176039D+01 -0.906886D+00  0.563329D+01 -0.305222D+00  0.209354D+01
      2   0.282413D+01 -0.171372D+00 -0.263204D+01 -0.528059D+01  0.491485D+01
      3  -0.106374D+01  0.107826D+01 -0.300125D+01  0.558581D+01 -0.700839D+01
      4  -0.173103D+00 -0.707160D-01 -0.435814D+01  0.171527D+01 -0.105730D+01
      5  -0.176556D+01  0.837181D+00 -0.217271D+01  0.240099D-01  0.320998D+01
      6  -0.140262D+01  0.203251D+01 -0.907580D+00  0.267178D+00 -0.209688D+01
                16            17            18            19            20 
      1  -0.620901D+01  0.561789D+00  0.139774D+02 -0.272427D+01 -0.315058D+01
      2   0.232124D+01 -0.341170D+01  0.145738D+02 -0.380416D+01 -0.113235D+01
      3   0.388777D+01  0.284991D+01 -0.285512D+02  0.652843D+01  0.428293D+01
      4  -0.147461D+01 -0.387220D+00 -0.254570D+01 -0.347570D+01  0.476620D+01
      5   0.256789D+00 -0.752045D+00 -0.201336D+01  0.128068D+02  0.141234D+01
      6  -0.273456D+01  0.744738D+00  0.737640D+01  0.612833D+00  0.206194D+01
                21            22            23            24            25 
      1   0.950595D+01 -0.748650D+01  0.105271D+02  0.148953D+01  0.140552D+02
      2  -0.434129D+01  0.400445D+01 -0.974761D+01 -0.139700D+00 -0.605125D+01
      3  -0.516466D+01  0.348205D+01 -0.779509D+00 -0.134983D+01 -0.800399D+01
      4   0.382381D+00  0.812086D+01  0.741109D+01  0.169896D+01  0.754444D+00
      5  -0.258212D+01  0.114642D+01  0.152660D+01 -0.449474D+01 -0.332226D+01
      6  -0.233574D+01  0.127240D+01 -0.242257D+01  0.337347D+01 -0.244758D+01
                26            27            28            29            30 
      1   0.626327D+00 -0.496749D+01 -0.114373D+01 -0.852161D+01 -0.330629D+01
      2   0.420206D+00  0.536038D+01  0.106176D+01  0.132446D+02 -0.956774D+00
      3  -0.104653D+01 -0.392890D+00  0.819635D-01 -0.472300D+01  0.426306D+01
      4   0.164030D+01 -0.524707D+01 -0.284599D+01 -0.135313D+02  0.211391D+01
      5  -0.473410D+01 -0.123905D+02 -0.392056D+01  0.958314D+00 -0.654689D+01
      6   0.269633D+01 -0.152653D+01  0.749459D+00 -0.794933D+00  0.101087D+02
                31            32            33            34            35 
      1  -0.535750D+01 -0.159203D+01  0.577858D-01 -0.249480D+01  0.114168D+01
      2   0.871198D+01  0.179186D+01  0.656486D+01 -0.204417D+01  0.766726D+01
      3  -0.335447D+01 -0.199826D+00 -0.662264D+01  0.453897D+01 -0.880893D+01
      4  -0.735365D+01  0.561337D+01 -0.287131D+01  0.225356D+01 -0.273530D+01
      5   0.385849D+00 -0.157802D+01  0.411620D+01 -0.426933D+01  0.780123D+01
      6  -0.269054D+01  0.795977D+01 -0.124202D+02  0.923321D+01 -0.177192D+02
                36            37            38            39            40 
      1   0.122920D+02  0.624470D+01  0.361253D+01  0.116112D+01 -0.250537D+01
      2  -0.101470D+02  0.763936D+00 -0.158442D+01  0.628232D+00  0.353253D+01
      3  -0.214508D+01 -0.700864D+01 -0.202810D+01 -0.178935D+01 -0.102716D+01
      4   0.109558D+02  0.100682D+02  0.180629D+02 -0.922439D+00  0.113820D+02
      5   0.704364D+01  0.144154D+01  0.473341D+00  0.911322D+01  0.620054D+00
      6  -0.129733D+02  0.395874D+00 -0.117871D+01 -0.165771D+01  0.484164D+00
                41            42            43            44            45 
      1  -0.155692D+02  0.119221D+01 -0.508592D+00  0.425884D+00 -0.501659D+01
      2   0.255767D+02 -0.890341D+00  0.379473D+00 -0.311985D+00  0.301953D+01
      3  -0.100075D+02 -0.301866D+00  0.129119D+00 -0.113899D+00  0.199706D+01
      4   0.876815D+01 -0.694188D+00 -0.126217D+01 -0.118985D+01  0.521066D+01
      5   0.979925D+00 -0.236320D+01  0.331158D+01  0.369875D+01 -0.140742D+01
      6  -0.544704D+00  0.105191D+02  0.150238D+01  0.917960D+01 -0.175269D+01
                46            47            48            49            50 
      1   0.975662D+02 -0.107168D+02 -0.321910D+01 -0.101946D+02  0.878636D+01
      2  -0.557550D+02  0.628200D+01  0.298799D+01  0.601754D+01 -0.668569D+00
      3  -0.418112D+02  0.443484D+01  0.231106D+00  0.417702D+01 -0.811779D+01
      4  -0.822556D+01  0.227172D+02  0.634095D+00  0.214578D+02 -0.797588D+01
      5  -0.216687D+01  0.377680D+00  0.241968D+02  0.857206D+00 -0.116320D+01
      6   0.314898D+00  0.501242D+00 -0.231495D+01 -0.650363D+00 -0.349434D+00
                51            52            53            54            55 
      1   0.755950D+00 -0.882101D+01  0.152970D+01  0.125105D+02 -0.729366D+00
      2  -0.335355D+00  0.621214D+01 -0.374316D+00 -0.116475D+02 -0.861390D+00
      3  -0.420595D+00  0.260888D+01 -0.115538D+01 -0.862990D+00  0.159076D+01
      4  -0.219892D+01  0.130302D+01 -0.322944D+01 -0.150609D+01  0.143469D+02
      5  -0.474413D+01  0.238486D+02 -0.372304D+01 -0.727013D+01  0.387103D+00
      6   0.527989D+01 -0.376553D+00  0.446937D+01  0.428130D-01 -0.174391D+01
                56            57            58            59            60 
      1  -0.323668D+01  0.552553D+00 -0.232193D+01 -0.232363D+02 -0.167814D+01
      2   0.689668D+01  0.981505D+00  0.146534D+01  0.374865D+02 -0.331552D+01
      3  -0.366000D+01 -0.153406D+01  0.856593D+00 -0.142501D+02  0.499366D+01
      4  -0.252898D+01 -0.174099D+01  0.540092D+01 -0.434134D+01  0.108463D+01
      5  -0.927824D+00  0.295977D+01  0.552711D+00  0.568339D-01 -0.216563D+01
      6   0.497277D+00  0.144450D+01  0.121700D+01 -0.209797D+01  0.974268D+01
                61            62            63            64            65 
      1   0.192817D+00 -0.572559D+00 -0.693313D+01 -0.398569D+00  0.822020D+00
      2   0.352073D+00  0.312957D+01  0.120761D+01 -0.415353D+01 -0.308806D+00
      3  -0.544890D+00 -0.255701D+01  0.572552D+01  0.455210D+01 -0.513214D+00
      4  -0.132475D+01  0.962052D+00  0.681889D-01  0.113334D+01  0.174192D+01
      5   0.298238D+01 -0.123317D+01  0.304287D+00  0.393332D+00 -0.323212D+00
      6   0.575028D+00  0.920664D+01 -0.740042D-03 -0.147265D+01  0.181714D+00
                66            67            68            69            70 
      1   0.447456D+00 -0.531593D-01 -0.376223D+01  0.957664D+00  0.169025D+01
      2  -0.525824D-01  0.513221D+00  0.146269D+00 -0.335941D+01  0.142800D+00
      3  -0.394874D+00 -0.460062D+00  0.361596D+01  0.240175D+01 -0.183305D+01
      4  -0.152758D+01  0.170956D+01 -0.387569D-01  0.686696D+00 -0.141266D+01
      5   0.638904D+01  0.337700D+00  0.388470D+00  0.122021D+00  0.555982D+01
      6   0.551894D-02  0.191798D+00 -0.207024D+01  0.639055D+01  0.603666D+00
                71            72            73            74            75 
      1   0.321108D+01 -0.209231D+02  0.689450D+00  0.266753D+01 -0.215527D+00
      2  -0.250709D+01 -0.193901D+02  0.438481D+01 -0.875587D+01  0.168241D+01
      3  -0.703987D+00  0.403132D+02 -0.507426D+01  0.608835D+01 -0.146688D+01
      4   0.145887D+01  0.158422D+01 -0.929673D+01  0.127013D+02 -0.545505D+01
      5   0.155489D+00  0.412675D+01  0.332352D+01 -0.289854D+01  0.382139D+01
      6   0.610408D+01 -0.115741D+02 -0.556501D+01  0.407360D+01 -0.466932D+01
                76            77            78            79            80 
      1   0.377122D+01 -0.148213D+02  0.513387D+01 -0.333707D+00  0.846606D+01
      2  -0.816176D+01  0.278101D+02 -0.918795D+01  0.216694D+01 -0.141958D+02
      3   0.439054D+01 -0.129888D+02  0.405407D+01 -0.183323D+01  0.572971D+01
      4   0.965685D+01 -0.142901D+02  0.492439D+01 -0.712552D+01  0.796313D+01
      5  -0.219657D+01  0.365984D+01 -0.338142D+01  0.422192D+01 -0.490528D+01
      6   0.331064D+01 -0.123259D+02  0.101378D+02 -0.582025D+01  0.142132D+02
                81            82            83            84            85 
      1  -0.775398D+01 -0.845821D+00  0.122910D+01  0.115940D+00  0.244497D+01
      2   0.742232D+01  0.254881D+00 -0.255256D+01  0.293787D+00 -0.356079D+01
      3   0.331666D+00  0.590940D+00  0.132345D+01 -0.409727D+00  0.111583D+01
      4  -0.697070D+01 -0.354618D+01  0.668219D+01  0.515900D+01  0.469955D+01
      5   0.440093D+01 -0.324483D+01  0.286587D+01  0.625736D+01  0.150396D+01
      6  -0.107685D+02  0.580470D+01 -0.235800D+01 -0.428905D+01 -0.194724D+01
                86            87            88            89            90 
      1  -0.929460D+01 -0.690177D+01  0.119140D+01 -0.110424D+02 -0.164734D+02
      2   0.108931D+02  0.632927D+01  0.110316D+01  0.825904D+01  0.305191D+01
      3  -0.159847D+01  0.572506D+00 -0.229456D+01  0.278336D+01  0.134215D+02
      4  -0.572138D+01 -0.275990D+01  0.612412D+01 -0.528773D+01 -0.720736D+01
      5  -0.308855D+01 -0.294513D+01  0.707260D+01 -0.583381D+01 -0.100667D+02
      6   0.106217D+02  0.122612D+02 -0.620295D+01  0.186178D+02  0.264670D+02
                91            92            93            94            95 
      1   0.613718D+01  0.234695D+01 -0.725890D+00 -0.765264D+00 -0.735851D+00
      2   0.284804D+01 -0.985646D+01 -0.792486D+00 -0.298851D+01  0.553286D+01
      3  -0.898522D+01  0.750951D+01  0.151838D+01  0.375377D+01 -0.479701D+01
      4  -0.201314D+02  0.148002D+02  0.225154D+01  0.736995D+01 -0.645410D+01
      5  -0.624233D+00  0.532068D+00  0.207189D+01  0.134383D+00 -0.463514D+00
      6   0.195996D+01 -0.503564D+00 -0.375486D+01 -0.619024D+00  0.389205D+00
                96            97            98            99           100 
      1   0.985009D-01 -0.171854D+00 -0.984992D+00 -0.533374D+00  0.478676D+01
      2   0.220528D+00 -0.811561D+00  0.179121D+01  0.240093D+00  0.885111D+01
      3  -0.319029D+00  0.983415D+00 -0.806220D+00  0.293280D+00 -0.136379D+02
      4  -0.830819D+00  0.295356D+01 -0.210101D+01 -0.279140D+01  0.815554D+01
      5  -0.909350D+00  0.302001D+01 -0.194575D+01 -0.795330D+00 -0.992285D+01
      6   0.213144D+01 -0.252146D+01  0.323318D+01  0.159578D+01  0.906122D+01
               101           102           103           104           105 
      1   0.884394D+01 -0.144545D+02  0.107885D+02 -0.936960D+00  0.146926D+01
      2  -0.607559D+01  0.314728D+01 -0.866020D+01 -0.567881D+00 -0.740835D+01
      3  -0.276835D+01  0.113072D+02 -0.212828D+01  0.150484D+01  0.593909D+01
      4  -0.557960D+01  0.278054D+01 -0.791938D+01 -0.112361D+02 -0.744815D+01
      5   0.929779D+01 -0.125088D+02  0.100869D+02 -0.121221D+02  0.543493D+01
      6  -0.707272D+01  0.149917D+01 -0.939242D+01 -0.129329D+02 -0.725490D+01
               106           107           108           109           110 
      1  -0.134632D+02 -0.913601D-01 -0.362601D+01 -0.114523D+02  0.161131D+02
      2   0.234973D+01 -0.625428D+01 -0.636333D+01  0.901455D+00 -0.928073D+01
      3   0.111134D+02  0.634564D+01  0.998935D+01  0.105509D+02 -0.683237D+01
      4   0.195342D+01 -0.442008D+01  0.528583D+01  0.153589D+02 -0.157776D+02
      5  -0.105783D+02  0.507162D+01  0.127054D+02 -0.165753D+02 -0.613292D+00
      6   0.201276D+01 -0.523116D+01  0.710169D+01 -0.388296D+01  0.305446D+01
               111           112           113           114           115 
      1  -0.149996D+02  0.202544D+02 -0.151927D+02  0.444426D+01 -0.200249D+02
      2   0.887576D+01 -0.139265D+02  0.292911D-01  0.261769D+00  0.865004D+01
      3   0.612384D+01 -0.632796D+01  0.151634D+02 -0.470603D+01  0.113749D+02
      4   0.145954D+01 -0.223034D+02 -0.219923D+02 -0.375792D+01  0.230314D+01
      5   0.778099D+01 -0.391870D+00 -0.221233D+01  0.641615D+01  0.649420D+01
      6   0.254017D+00  0.466350D+01  0.505894D+01  0.154430D+01  0.706951D+00
               116           117           118           119           120 
      1   0.490177D+01  0.149827D+02 -0.780485D+01 -0.227520D+01  0.128342D+02
      2  -0.934992D+00  0.666159D+01 -0.292269D+01  0.517855D+00  0.520915D+01
      3  -0.396678D+01 -0.216443D+02  0.107275D+02  0.175735D+01 -0.180434D+02
      4  -0.593178D+01  0.753594D+01 -0.129626D+01  0.113883D+01  0.260604D+00
      5   0.638697D+01  0.233792D+02 -0.111286D+02 -0.274291D+01  0.671283D+01
      6   0.165790D+01 -0.211349D+01 -0.297799D+01 -0.389635D+01  0.138062D+01
               121           122           123           124           125 
      1  -0.304561D+01 -0.361574D+01  0.302043D+01  0.916426D+01  0.192433D+01
      2   0.107104D+01  0.672128D+00  0.183560D+01  0.318169D+01  0.136674D+01
      3   0.197457D+01  0.294361D+01 -0.485603D+01 -0.123460D+02 -0.329107D+01
      4   0.196012D+01  0.104002D+01  0.980953D+00  0.472208D+00  0.584349D+00
      5  -0.305522D+01 -0.443754D+00 -0.428234D+00  0.769505D+01  0.248474D+00
      6  -0.263285D+01 -0.120204D+01  0.596102D+01  0.127270D+01  0.484052D+01
               126           127           128           129           130 
      1  -0.144649D+02  0.124828D+01  0.154216D+01  0.204737D+01  0.205297D+01
      2  -0.738652D+01 -0.859543D+00  0.429480D+00 -0.115452D+01  0.135449D+00
      3   0.218514D+02 -0.388735D+00 -0.197164D+01 -0.892843D+00 -0.218842D+01
      4  -0.100747D+01  0.438022D+01  0.754164D+01  0.208747D+01  0.915755D+01
      5  -0.520598D+01  0.466453D+01  0.368872D+01  0.526289D+01  0.592774D+01
      6  -0.266447D+01  0.300919D+01  0.442722D+01  0.204367D+01  0.631773D+01
               131           132           133           134           135 
      1  -0.877109D+01 -0.625309D+01  0.734384D+00 -0.415581D+01 -0.389509D+01
      2   0.132511D+02 -0.223133D+00 -0.820090D+00  0.898176D-01  0.582984D+00
      3  -0.448001D+01  0.647622D+01  0.857055D-01  0.406599D+01  0.331211D+01
      4   0.190829D+02  0.687099D+01  0.959731D+00  0.365483D+01  0.339621D+01
      5   0.932580D+01  0.763940D+01  0.391296D+01  0.389533D+01  0.248419D+01
      6   0.240961D+02  0.125762D+02  0.185892D+01  0.945868D+01  0.626828D+01
               136           137           138           139           140 
      1   0.185889D+02 -0.542244D+01  0.566914D+01 -0.730365D+01  0.210254D+01
      2  -0.166956D+02  0.404452D+01 -0.108917D+02  0.582665D+01 -0.136837D+01
      3  -0.189329D+01  0.137792D+01  0.522258D+01  0.147700D+01 -0.734166D+00
      4  -0.810259D+01  0.796044D+01 -0.373652D+01  0.874057D+01 -0.734254D+01
      5   0.247282D+02 -0.849192D+01  0.193006D+02 -0.115546D+02  0.951238D+01
      6  -0.731348D+01  0.723811D+01 -0.446258D+01  0.778274D+01 -0.708567D+01
               141           142           143           144           145 
      1   0.412306D+00  0.368628D+01  0.464335D+00  0.434388D+00 -0.265569D+00
      2   0.549342D+01 -0.797364D+01  0.350185D+01 -0.934925D+01 -0.225602D+01
      3  -0.590572D+01  0.428736D+01 -0.396618D+01  0.891486D+01  0.252159D+01
      4   0.556239D+01 -0.256528D+01  0.323486D+01 -0.426233D+01 -0.219717D+01
      5  -0.996849D+01  0.147987D+02 -0.613150D+01  0.140028D+02 -0.245963D+01
      6   0.743857D+01 -0.389930D+01  0.513438D+01 -0.588913D+01  0.696441D+00
               146           147           148           149           150 
      1  -0.255471D+01 -0.498386D+01 -0.394749D+01 -0.837967D+00 -0.186874D+01
      2   0.141382D+01  0.194660D+01  0.264055D+01 -0.619573D+00 -0.153878D+01
      3   0.114089D+01  0.303725D+01  0.130694D+01  0.145754D+01  0.340752D+01
      4   0.180313D+01 -0.194120D+00  0.395614D+01  0.231299D+00 -0.458425D+01
      5   0.603326D+00  0.466912D+01  0.179788D+01 -0.428437D+01 -0.459830D+01
      6   0.412623D+00  0.721337D-01 -0.104134D+01  0.126315D+01  0.608266D+01
               151           152           153           154           155 
      1  -0.620443D+01 -0.180657D+01 -0.153468D+02  0.513632D+02 -0.154312D+02
      2   0.642637D+01 -0.802679D+00 -0.187147D+02 -0.238244D+02  0.633561D+01
      3  -0.221936D+00  0.260925D+01  0.340615D+02 -0.275388D+02  0.909564D+01
      4  -0.570898D+00 -0.503366D+01 -0.358399D+01 -0.166654D+02  0.143373D+02
      5   0.119426D+02 -0.276427D+01 -0.383979D+02  0.236653D+00 -0.234801D+00
      6   0.211564D+00  0.601369D+01  0.406215D+00  0.272050D+01 -0.237815D+01
               156           157           158           159           160 
      1   0.627976D+01 -0.229855D+02  0.124783D+02 -0.203110D+01  0.147013D+02
      2  -0.226466D+01  0.982722D+01 -0.175569D+01 -0.309784D+00 -0.645954D+01
      3  -0.401510D+01  0.131583D+02 -0.107226D+02  0.234089D+01 -0.824172D+01
      4  -0.211109D+01  0.184205D+02 -0.128013D+02  0.288470D+01 -0.390366D+01
      5   0.713826D+01  0.972634D+00  0.112046D+01 -0.624002D+01  0.731668D+01
      6  -0.246381D+00 -0.259119D+01  0.121892D+01  0.116426D+01 -0.634128D+00
               161           162           163           164           165 
      1  -0.324053D+01  0.491504D+01  0.119216D+02  0.711938D+01  0.141008D+01
      2   0.563657D+00 -0.410713D+01 -0.236279D+01 -0.924430D+00 -0.643314D+00
      3   0.267687D+01 -0.807917D+00 -0.955878D+01 -0.619495D+01 -0.766768D+00
      4   0.513268D+01 -0.458898D+01  0.104308D+02  0.149016D+02 -0.517285D+00
      5  -0.430183D+01  0.304433D+01 -0.472048D+00 -0.181999D+01  0.203833D+01
      6   0.732348D+00 -0.220164D+00 -0.170948D+01 -0.266169D+01  0.896893D+00
               166           167           168           169           170 
      1   0.110768D+02  0.384931D+01 -0.633482D+00  0.476740D+01  0.402848D+00
      2  -0.666608D+00  0.131060D+02  0.140900D+01 -0.143704D+01  0.130625D+01
      3  -0.104102D+02 -0.169553D+02 -0.775519D+00 -0.333036D+01 -0.170910D+01
      4   0.218395D+02  0.371297D+02 -0.807309D+00  0.118279D+01  0.268569D+01
      5  -0.398006D+01 -0.174859D+01  0.698910D+01  0.298920D+01  0.467411D+01
      6  -0.422618D+01 -0.928587D+01  0.457342D+01  0.167712D+01  0.370202D+01
               171 
      1  -0.972260D+00
      2   0.112073D+00
      3   0.860187D+00
      4   0.432371D+01
      5  -0.176127D+01
      6  -0.267061D+00
 Leave Link  716 at Fri Jul 23 16:27:04 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.909881D+02 -0.431146D+01 -0.166861D+01
      2  -0.431146D+01  0.790727D+02  0.736350D+00
      3  -0.166861D+01  0.736350D+00  0.723462D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.878326D+00 -0.100929D+01 -0.810691D+00
      2   0.317454D+01  0.738501D+00  0.341938D+02
      3  -0.131528D+02 -0.191221D+02 -0.889386D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.328817D+02  0.131324D+02  0.520230D+01
      2  -0.191002D+02 -0.620822D+01 -0.108377D+01
      3  -0.137815D+02 -0.692414D+01 -0.411853D+01
      4   0.291240D+01  0.499964D+02  0.298944D+00
      5   0.841494D+01  0.365143D+00  0.779505D+02
      6  -0.478758D+00  0.496768D+01 -0.343126D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.723276D+01 -0.273892D+01 -0.347312D+00 -0.135545D+01 -0.125252D+01
      2  -0.273892D+01  0.546720D+00  0.122315D+00 -0.125252D+01  0.178018D-01
      3  -0.347312D+00  0.122315D+00  0.231687D+00  0.165824D+00  0.130438D+00
                 6             7             8             9            10 
      1   0.165824D+00 -0.151587D+01  0.848425D-01  0.202826D+00 -0.339687D+01
      2   0.130438D+00  0.848425D-01 -0.392383D+00 -0.355025D+00  0.272503D+01
      3  -0.648297D+00  0.202826D+00 -0.355025D+00 -0.827508D+00 -0.138011D+01
                11            12            13            14            15 
      1   0.272503D+01 -0.138011D+01  0.313364D+01  0.561592D+00 -0.118848D+00
      2  -0.142063D-01  0.439178D-01  0.561592D+00 -0.110358D+01 -0.410629D+00
      3   0.439178D-01 -0.722399D+00 -0.118848D+00 -0.410629D+00  0.204558D+01
                16            17            18            19            20 
      1  -0.104124D+01  0.683608D+00 -0.892439D+00  0.207823D+01 -0.197649D+01
      2   0.683608D+00 -0.102153D+01  0.706074D+00 -0.197649D+01  0.296592D+01
      3  -0.892439D+00  0.706074D+00  0.725256D+01  0.346808D+01  0.592942D-01
                21            22            23            24            25 
      1   0.346808D+01 -0.221110D+01  0.288111D+01 -0.180422D+00  0.408014D+01
      2   0.592942D-01  0.288111D+01  0.343078D+01  0.150902D+01 -0.808457D-01
      3  -0.630718D+00 -0.180422D+00  0.150902D+01 -0.181006D+01 -0.622994D+00
                26            27            28            29            30 
      1  -0.808457D-01 -0.622994D+00  0.176761D+01  0.283901D+00 -0.106222D+01
      2   0.118704D+01 -0.182969D+01  0.283901D+00 -0.305895D+01 -0.150848D+00
      3  -0.182969D+01 -0.622494D+01 -0.106222D+01 -0.150848D+00 -0.245790D+01
                31            32            33            34            35 
      1   0.241647D+00 -0.292254D+01  0.398279D+00 -0.100489D+01  0.196799D+00
      2  -0.292254D+01 -0.949507D+00 -0.137575D+01  0.196799D+00 -0.123535D+01
      3   0.398279D+00 -0.137575D+01  0.248696D+01 -0.181190D+01  0.373631D+01
                36            37            38            39            40 
      1  -0.181190D+01 -0.352760D+01 -0.219629D+01  0.301304D+00 -0.214990D+01
      2   0.373631D+01 -0.219629D+01 -0.548502D+00  0.310018D+00 -0.433904D+00
      3   0.374311D+01  0.301304D+00  0.310018D+00  0.723435D+00 -0.124445D+00
                41            42            43            44            45 
      1  -0.433904D+00 -0.124445D+00  0.669447D+00  0.237118D+00 -0.445686D+00
      2  -0.506127D+01  0.475407D+00  0.237118D+00  0.503588D+00 -0.144111D+01
      3   0.475407D+00 -0.846803D+00 -0.445686D+00 -0.144111D+01  0.544833D+00
                46            47            48            49            50 
      1  -0.168519D+02  0.272377D+01  0.884506D+00  0.171183D+01 -0.311835D+01
      2   0.272377D+01 -0.338500D+01 -0.193412D+00 -0.311835D+01  0.228077D+01
      3   0.884506D+00 -0.193412D+00 -0.200674D+01 -0.883851D-01  0.335243D+00
                51            52            53            54            55 
      1  -0.883851D-01  0.206345D+01 -0.247200D+00 -0.355409D+01  0.379283D+01
      2   0.335243D+00 -0.247200D+00  0.614238D+00  0.805928D+00 -0.264355D+00
      3   0.751201D+00 -0.355409D+01  0.805928D+00  0.121079D+01  0.305735D-01
                56            57            58            59            60 
      1  -0.264355D+00  0.305735D-01 -0.218814D+00 -0.160876D+00  0.279470D+00
      2   0.309734D+01  0.230332D+00 -0.160876D+00  0.624086D+01 -0.209476D+00
      3   0.230332D+00  0.999329D+00  0.279470D+00 -0.209476D+00 -0.524709D+00
                61            62            63            64            65 
      1  -0.646396D+00 -0.195155D-01  0.308726D+00  0.893936D+00 -0.391283D+00
      2  -0.195155D-01  0.153780D+00  0.113053D+01 -0.391283D+00 -0.676073D-01
      3   0.308726D+00  0.113053D+01 -0.296725D+00 -0.114500D+01  0.787514D-01
                66            67            68            69            70 
      1  -0.114500D+01 -0.534114D+00 -0.218376D+00  0.641292D-01 -0.172976D+01
      2   0.787514D-01 -0.218376D+00  0.474102D+00 -0.133026D+01 -0.689753D-02
      3   0.259806D+00  0.641292D-01 -0.133026D+01 -0.199362D+00  0.951752D-01
                71            72            73            74            75 
      1  -0.689753D-02  0.951752D-01  0.169490D+01 -0.166951D+01  0.112519D+01
      2  -0.165863D+01  0.447732D+00 -0.166951D+01  0.228948D+01 -0.673260D+00
      3   0.447732D+00 -0.936458D+01  0.112519D+01 -0.673260D+00  0.104788D+01
                76            77            78            79            80 
      1  -0.147117D+01  0.196358D+01 -0.530920D+00  0.155435D+01 -0.909041D+00
      2   0.196358D+01 -0.553945D+01  0.193991D+01 -0.909041D+00  0.325954D+01
      3  -0.530920D+00  0.193991D+01 -0.177063D+01  0.124444D+01 -0.248292D+01
                81            82            83            84            85 
      1   0.124444D+01  0.737354D+00 -0.831612D+00 -0.134924D+01 -0.519374D+00
      2  -0.248292D+01 -0.831612D+00  0.858721D+00  0.507310D+00  0.100595D+01
      3   0.204511D+01 -0.134924D+01  0.507310D+00  0.102983D+01  0.255842D+00
                86            87            88            89            90 
      1   0.100595D+01  0.255842D+00 -0.208769D+01  0.465967D+00  0.140199D+01
      2  -0.255369D+01 -0.183672D+01  0.465967D+00 -0.288204D+01 -0.350852D+01
      3  -0.183672D+01 -0.187857D+01  0.140199D+01 -0.350852D+01 -0.638041D+01
                91            92            93            94            95 
      1  -0.451912D+01  0.203403D+01  0.420924D+00  0.141013D+01 -0.117957D+01
      2   0.203403D+01 -0.361576D+01 -0.272317D+00 -0.117957D+01  0.148569D+01
      3   0.420924D+00 -0.272317D+00 -0.104842D+01 -0.173601D+00  0.108327D+00
                96            97            98            99           100 
      1  -0.173601D+00  0.867296D+00 -0.328271D+00 -0.560425D+00  0.367874D-01
      2   0.108327D+00 -0.328271D+00  0.708471D+00  0.629337D+00  0.263240D+01
      3   0.537315D+00 -0.560425D+00  0.629337D+00  0.388768D+00 -0.438123D+01
               101           102           103           104           105 
      1   0.263240D+01 -0.438123D+01  0.283712D+01 -0.252006D+01  0.388926D+00
      2  -0.199197D+01  0.331583D+00 -0.252006D+01 -0.435938D+01 -0.241478D+01
      3   0.331583D+00  0.120770D+01  0.388926D+00 -0.241478D+01  0.185062D+01
               106           107           108           109           110 
      1  -0.399033D+01  0.227532D+00  0.129327D+01 -0.114179D+01  0.247776D+01
      2   0.227532D+00 -0.126101D+01  0.174305D+01  0.247776D+01 -0.296304D+01
      3   0.129327D+01  0.174305D+01  0.376329D+01 -0.319758D+01  0.273070D+00
               111           112           113           114           115 
      1  -0.319758D+01  0.271182D+01 -0.361912D+01  0.271135D+00 -0.355524D+01
      2   0.273070D+00 -0.361912D+01 -0.434476D+01 -0.919226D+00  0.268110D+00
      3   0.138088D+01  0.271135D+00 -0.919226D+00  0.165188D+01  0.677474D+00
               116           117           118           119           120 
      1   0.268110D+00  0.677474D+00 -0.399102D+01 -0.852778D+00  0.241118D+01
      2  -0.104837D+01  0.151567D+01 -0.852778D+00 -0.836142D+00  0.244250D+00
      3   0.151567D+01  0.648097D+01  0.241118D+01  0.244250D+00 -0.357790D+01
               121           122           123           124           125 
      1  -0.982791D+00 -0.604494D+00  0.346676D+00  0.204521D+01  0.211547D+00
      2  -0.604494D+00 -0.102217D+00  0.102536D+01  0.211547D+00  0.771560D+00
      3   0.346676D+00  0.102536D+01 -0.110458D+01 -0.214142D+01 -0.624815D+00
               126           127           128           129           130 
      1  -0.214142D+01  0.836803D+00  0.969015D+00  0.943553D+00  0.146416D+01
      2  -0.624815D+00  0.969015D+00  0.117055D+01  0.387773D+00  0.163011D+01
      3   0.365669D+01  0.943553D+00  0.387773D+00  0.282287D+00  0.746902D+00
               131           132           133           134           135 
      1   0.163011D+01  0.746902D+00  0.605550D+00  0.323112D+00  0.249347D+00
      2   0.663221D+01  0.228525D+01  0.323112D+00  0.127040D+01  0.121688D+01
      3   0.228525D+01  0.241854D+01  0.249347D+00  0.121688D+01  0.815261D+00
               136           137           138           139           140 
      1   0.493031D+01 -0.178444D+01  0.293302D+01 -0.241549D+01  0.184421D+01
      2  -0.178444D+01  0.171200D+01 -0.849356D+00  0.184421D+01 -0.156183D+01
      3   0.293302D+01 -0.849356D+00  0.254300D+01 -0.124273D+01  0.145727D+01
               141           142           143           144           145 
      1  -0.124273D+01  0.198867D+01 -0.669002D+00  0.175275D+01 -0.163649D+00
      2   0.145727D+01 -0.669002D+00  0.841557D+00 -0.113186D+01 -0.409327D+00
      3  -0.205626D+01  0.175275D+01 -0.113186D+01  0.223673D+01 -0.749186D+00
               146           147           148           149           150 
      1  -0.409327D+00 -0.749186D+00 -0.722650D+00  0.505435D+00  0.141741D+00
      2   0.583652D-01 -0.425496D-01  0.505435D+00 -0.244762D-01 -0.108962D+01
      3  -0.425496D-01 -0.427339D+00  0.141741D+00 -0.108962D+01 -0.109090D+01
               151           152           153           154           155 
      1  -0.161754D+01 -0.561611D-01  0.130549D+01  0.749485D+01 -0.236385D+01
      2  -0.561611D-01 -0.111745D+01 -0.639725D+00 -0.236385D+01  0.196338D+01
      3   0.130549D+01 -0.639725D+00 -0.893397D+01  0.860375D+00 -0.308583D+00
               156           157           158           159           160 
      1   0.860375D+00 -0.381133D+01  0.252524D+01 -0.183599D+00  0.242281D+01
      2  -0.308583D+00  0.252524D+01 -0.178745D+01  0.456660D+00 -0.493902D+00
      3   0.972714D+00 -0.183599D+00  0.456660D+00 -0.104682D+01  0.105714D+01
               161           162           163           164           165 
      1  -0.493902D+00  0.105714D+01  0.209560D+01  0.163295D+01  0.233162D+00
      2   0.796183D+00 -0.745911D+00  0.163295D+01  0.181871D+01 -0.982899D-01
      3  -0.745911D+00  0.327343D+00  0.233162D+00 -0.982899D-01  0.192872D+00
               166           167           168           169           170 
      1   0.288185D+01  0.311258D+01 -0.415974D+00  0.892037D+00  0.112199D+00
      2   0.311258D+01  0.682540D+01 -0.136419D+00  0.112199D+00  0.510413D+00
      3  -0.415974D+00 -0.136419D+00  0.123491D+01  0.440312D+00  0.828067D+00
               171 
      1   0.440312D+00
      2   0.828067D+00
      3  -0.437336D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.812253D+00  0.345066D+01 -0.910689D+00  0.278238D+01  0.167163D+01
      2  -0.193441D+01 -0.295750D+01 -0.103056D+02 -0.193368D+01 -0.826622D+00
      3  -0.202459D+01  0.781245D+01  0.109307D+01  0.314824D+00 -0.425791D+01
                 6             7             8             9            10 
      1   0.438594D+01  0.119558D+01  0.119445D+02 -0.197136D+01  0.248427D+00
      2   0.250842D+01 -0.131692D+02 -0.301685D+01  0.369518D+01 -0.343784D+01
      3  -0.155577D+01  0.254780D+01 -0.525082D+01  0.145796D+00  0.125871D+01
                11            12            13            14            15 
      1  -0.898326D+00 -0.250847D+01 -0.196449D+01  0.968491D+00 -0.128066D+01
      2   0.236089D+01  0.157864D+01  0.406433D+01  0.345759D+00  0.313640D+01
      3  -0.228777D+01 -0.735572D+00  0.697972D+01 -0.655732D+00  0.111256D+01
                16            17            18            19            20 
      1  -0.914593D+00  0.243225D+01 -0.155836D+01 -0.666971D+00 -0.137216D+00
      2  -0.287509D+01  0.103008D+01 -0.499273D+01  0.801118D+01 -0.265378D+00
      3  -0.833114D+00  0.209544D+01 -0.193843D+01  0.281832D+01 -0.878854D+01
                21            22            23            24            25 
      1   0.718534D+00 -0.150673D+00  0.631989D+00 -0.600177D+01  0.358459D+00
      2   0.428303D+01 -0.987841D+00  0.183767D+01 -0.237977D+01 -0.531567D+01
      3   0.117772D+00 -0.284794D+00 -0.623879D+01 -0.274849D+01  0.817586D+00
                26            27            28            29            30 
      1   0.246278D+01 -0.818372D+00  0.131841D+00  0.183458D+01 -0.448616D+01
      2  -0.252588D+01 -0.434607D+01 -0.178297D+01  0.635219D+00 -0.229109D+01
      3  -0.236663D+01  0.193636D+01 -0.882666D+01  0.116716D+01  0.570735D+00
                31            32            33            34            35 
      1   0.283569D+01 -0.364659D+01  0.525110D+01 -0.320911D+01  0.125488D+02
      2  -0.162358D+00 -0.249564D+01  0.192750D+01 -0.619734D+01  0.468024D+01
      3   0.405215D+01  0.657246D+01  0.173185D+01  0.192176D+00  0.140174D+01
                36            37            38            39            40 
      1   0.619793D+01 -0.510690D+00 -0.143489D+01 -0.153261D+00  0.131537D+01
      2   0.272538D+01 -0.285614D+00  0.116629D+01  0.619783D+01  0.386346D+00
      3   0.162985D+01  0.870120D+01 -0.244052D+01 -0.893193D+00  0.117465D+02
                41            42            43            44            45 
      1   0.148278D+01 -0.647494D+01 -0.437568D+01 -0.181770D+01  0.180729D+01
      2  -0.259214D+00 -0.798355D+00 -0.302738D+01  0.347614D+01 -0.144531D+01
      3  -0.433818D+01 -0.194253D+00 -0.294666D+01  0.437017D+00 -0.271769D+00
                46            47            48            49            50 
      1   0.122907D+01 -0.926972D+00  0.153844D+01 -0.106814D+01 -0.316502D+00
      2  -0.283649D+01  0.330523D+00  0.145990D+02  0.880471D+00 -0.577545D+00
      3   0.844343D+01 -0.193217D+02 -0.613686D+00 -0.276534D+01  0.849552D+01
                51            52            53            54            55 
      1  -0.362402D+01 -0.198691D+01  0.655090D+00  0.660810D+00  0.147987D+01
      2  -0.194334D+01  0.451924D+01  0.714234D+00 -0.431070D+01 -0.279670D+00
      3   0.819129D+00 -0.372951D+00  0.414685D+01  0.273916D+01  0.124690D+02
                56            57            58            59            60 
      1  -0.136543D+01 -0.159647D+01  0.105578D+00 -0.353240D+01 -0.615404D+01
      2   0.713828D+00  0.145513D+01 -0.627005D+00 -0.713701D+00 -0.952583D+00
      3  -0.132767D+01 -0.105038D+01  0.562570D+01  0.374331D+01  0.255732D+00
                61            62            63            64            65 
      1  -0.668818D+00  0.159901D+01 -0.207188D+01  0.272075D+00 -0.157099D+00
      2  -0.359884D+01  0.384334D+00 -0.109766D+00  0.224954D+01 -0.288808D+00
      3  -0.142955D+01  0.269675D+00  0.160209D+01  0.609878D+00 -0.967903D+00
                66            67            68            69            70 
      1   0.273550D+00 -0.428166D+00  0.621956D+00  0.794947D+00 -0.517617D+00
      2  -0.498062D+00 -0.983882D+00  0.507173D+00  0.207381D-01 -0.440528D+01
      3  -0.608192D+00  0.270712D+00  0.112054D+00 -0.404760D+00 -0.844084D+00
                71            72            73            74            75 
      1   0.377949D+01  0.465273D+01  0.270623D+01 -0.160350D+01  0.280864D+01
      2   0.287585D+00  0.349125D+01  0.811591D+00 -0.766602D+00  0.202527D+01
      3  -0.731867D+00  0.581469D+00 -0.261604D+01  0.522864D-01 -0.178827D+01
                76            77            78            79            80 
      1  -0.178020D+01  0.450991D+01 -0.536724D+01  0.301353D+01 -0.391528D+01
      2   0.218173D+00  0.182906D+01 -0.196525D+01 -0.262509D-01 -0.223040D+01
      3   0.404865D+01 -0.606654D+00 -0.211717D+00 -0.373731D+01 -0.110582D+01
                81            82            83            84            85 
      1   0.574260D+01 -0.254732D+01  0.160575D+00  0.200719D+01 -0.166297D+00
      2   0.215807D+01  0.141814D+00 -0.218168D+00  0.583279D+00 -0.521875D+00
      3  -0.102358D+01 -0.140410D+01 -0.294588D+00  0.250681D+01  0.135032D+01
                86            87            88            89            90 
      1  -0.181977D+01 -0.407251D+01  0.309811D+01 -0.280321D+01 -0.115978D+02
      2  -0.808032D+00 -0.146027D+01 -0.224980D+01 -0.238385D+01 -0.431320D+01
      3  -0.109092D+01  0.484382D+00  0.515721D+01  0.105813D+01 -0.136603D+01
                91            92            93            94            95 
      1  -0.213508D+01  0.144884D+01  0.261897D+01  0.324224D+00 -0.698866D+00
      2  -0.361169D+00  0.136583D+00  0.166256D+01  0.120925D+00  0.715221D-01
      3  -0.126528D+02 -0.458683D+00  0.135495D+01  0.144176D+01 -0.243554D+01
                96            97            98            99           100 
      1  -0.129758D+01  0.804499D+00 -0.518022D+00 -0.106763D+01  0.601280D+01
      2  -0.679155D+00 -0.346695D+00 -0.725543D+00 -0.366951D+00 -0.600157D+01
      3  -0.841469D-01  0.211560D+01 -0.335405D+00 -0.476947D+00 -0.326919D+01
               101           102           103           104           105 
      1  -0.398798D+01 -0.228392D+00 -0.520889D+01 -0.881482D+01 -0.895190D+01
      2  -0.431901D+01  0.144046D+02 -0.459425D+01  0.127817D+01  0.174477D+01
      3   0.163039D+01 -0.214104D+01  0.679316D+01  0.533304D+01  0.324987D+01
               106           107           108           109           110 
      1   0.494122D+00 -0.202906D+01  0.307629D+01 -0.123285D+01  0.306116D+01
      2   0.700557D+01  0.168092D+01  0.138491D+01 -0.109826D+02  0.274266D+01
      3  -0.149885D+01  0.220463D+01 -0.192408D+01 -0.717209D+01  0.678189D+01
               111           112           113           114           115 
      1  -0.669543D+00  0.407277D+01  0.457510D+01 -0.184613D+01  0.349538D+00
      2   0.189994D+01  0.308535D+01 -0.566468D+01  0.458484D+01 -0.502332D+01
      3  -0.141111D+01  0.155972D+02  0.112264D+02  0.156830D+01 -0.185285D+01
               116           117           118           119           120 
      1   0.228275D+01 -0.350209D+01 -0.229876D+01 -0.283208D+01  0.892747D+00
      2   0.372499D+01  0.184951D+02  0.130912D+02  0.238433D+01 -0.641017D+01
      3   0.284318D+01 -0.395723D+01 -0.123367D+00 -0.875238D+00  0.352891D+00
               121           122           123           124           125 
      1  -0.150119D+01 -0.618656D+00  0.947160D+00  0.107847D+01  0.291355D+01
      2   0.288949D+01  0.240560D+01 -0.162581D+01 -0.826410D+01 -0.121011D+01
      3   0.132185D+01 -0.118587D+00 -0.105232D+01  0.162128D-01 -0.612711D-01
               126           127           128           129           130 
      1  -0.174880D+01  0.131927D+01  0.197650D+01  0.283356D+00  0.237440D+01
      2   0.727935D+01  0.302922D+00 -0.991422D+00 -0.148290D+00 -0.217374D+01
      3   0.857480D-01 -0.696417D+00 -0.188063D+01 -0.252036D+00  0.846685D+00
               131           132           133           134           135 
      1   0.128837D+02  0.401673D+00  0.774234D+00  0.280013D+01  0.166455D+01
      2   0.588130D+00  0.261470D+01 -0.151246D+01  0.944693D+00  0.719843D+00
      3  -0.926129D+01 -0.263430D+01 -0.321709D-01 -0.156896D+01 -0.177601D+01
               136           137           138           139           140 
      1  -0.405529D+01  0.442136D+01 -0.122528D+01  0.351042D+01 -0.378008D+01
      2  -0.534821D+01  0.233655D+01  0.633918D+00  0.344997D+01 -0.133522D+01
      3   0.243469D+01 -0.441201D+01  0.152723D+01 -0.156199D+01  0.321891D+01
               141           142           143           144           145 
      1   0.141470D+01 -0.171014D+01  0.297168D+01 -0.208836D+01  0.581732D+00
      2  -0.136918D+01 -0.292669D+01 -0.146118D+00  0.503828D+00 -0.268574D+01
      3  -0.200249D+01  0.887699D+00 -0.177848D+01  0.184161D+01  0.100432D+01
               146           147           148           149           150 
      1   0.198712D+00  0.413149D-01 -0.255723D+00  0.604283D+00  0.353962D+00
      2  -0.482273D+00 -0.641092D+00 -0.877824D+00 -0.199208D+01 -0.269359D+01
      3  -0.909841D+00 -0.833349D-01 -0.381720D+00  0.238031D+00  0.248867D+01
               151           152           153           154           155 
      1  -0.332841D-01  0.405134D+01  0.270854D+01  0.189214D+01 -0.142718D+01
      2  -0.210229D+01 -0.199491D+01 -0.214726D+02  0.828559D+01 -0.319557D+01
      3   0.140596D+00  0.299114D+01  0.192572D+01  0.685250D+01 -0.773251D+01
               156           157           158           159           160 
      1   0.100169D+01 -0.173099D+01  0.110973D+01 -0.168733D+01  0.247232D+00
      2   0.559236D+01 -0.342750D+01  0.342203D+01 -0.425433D+01  0.329030D+01
      3   0.120717D+01 -0.550690D+01  0.615155D+01 -0.154323D+01  0.133320D+01
               161           162           163           164           165 
      1   0.227675D+00  0.889023D+00 -0.161425D+01 -0.178171D+01 -0.406183D+00
      2  -0.243994D+01  0.231901D+01  0.220748D+01  0.104747D+01  0.156316D+01
      3  -0.282594D+01  0.212670D+01 -0.365359D+01 -0.529394D+01  0.474818D+00
               166           167           168           169           170 
      1  -0.223108D+01 -0.620155D+01 -0.297571D+01 -0.150896D+00 -0.383496D-01
      2   0.119490D+01  0.238761D+01  0.358427D+01  0.727055D+00  0.190141D+01
      3  -0.439019D+01 -0.182387D+02 -0.115683D+00  0.339450D+00 -0.142263D+01
               171 
      1  -0.603733D+00
      2  -0.577884D+00
      3  -0.188042D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.491830D+02  0.302438D+01  0.563225D+00  0.128187D+02  0.821251D+01
      2   0.278418D+02  0.135681D+01 -0.337160D+01 -0.889821D+01 -0.108573D+02
      3   0.213412D+02 -0.438119D+01  0.280837D+01 -0.392050D+01  0.264479D+01
      4   0.102637D+02 -0.124916D+02 -0.116946D+00 -0.949272D+00  0.689063D+01
      5   0.223197D+01  0.344926D+00 -0.145656D+02 -0.972351D+00  0.510128D+00
      6  -0.513284D-02 -0.201451D+00  0.399287D+01 -0.209862D+00  0.178683D+00
                 6             7             8             9            10 
      1  -0.224988D+01  0.916059D+01 -0.225249D+01 -0.643667D+01 -0.268118D+01
      2   0.660822D+00 -0.657595D+01  0.206323D+00 -0.335757D+01  0.592856D+01
      3   0.158906D+01 -0.258464D+01  0.204617D+01  0.979424D+01 -0.324737D+01
      4   0.647770D+00 -0.620435D+00  0.299930D+01  0.135053D+01 -0.266596D+01
      5   0.831088D+01  0.373490D+01  0.813677D-01  0.614844D+01 -0.136731D+01
      6  -0.505835D+01  0.671022D+00  0.201848D+01  0.122840D+01 -0.654466D+00
                11            12            13            14            15 
      1  -0.176039D+01 -0.906886D+00  0.563329D+01 -0.305222D+00  0.209354D+01
      2   0.282413D+01 -0.171372D+00 -0.263204D+01 -0.528059D+01  0.491485D+01
      3  -0.106374D+01  0.107826D+01 -0.300125D+01  0.558581D+01 -0.700839D+01
      4  -0.173103D+00 -0.707160D-01 -0.435814D+01  0.171527D+01 -0.105730D+01
      5  -0.176556D+01  0.837181D+00 -0.217271D+01  0.240099D-01  0.320998D+01
      6  -0.140262D+01  0.203251D+01 -0.907580D+00  0.267178D+00 -0.209688D+01
                16            17            18            19            20 
      1  -0.620901D+01  0.561789D+00  0.139774D+02 -0.272427D+01 -0.315058D+01
      2   0.232124D+01 -0.341170D+01  0.145738D+02 -0.380416D+01 -0.113235D+01
      3   0.388777D+01  0.284991D+01 -0.285512D+02  0.652843D+01  0.428293D+01
      4  -0.147461D+01 -0.387220D+00 -0.254570D+01 -0.347570D+01  0.476620D+01
      5   0.256789D+00 -0.752045D+00 -0.201336D+01  0.128068D+02  0.141234D+01
      6  -0.273456D+01  0.744738D+00  0.737640D+01  0.612833D+00  0.206194D+01
                21            22            23            24            25 
      1   0.950595D+01 -0.748650D+01  0.105271D+02  0.148953D+01  0.140552D+02
      2  -0.434129D+01  0.400445D+01 -0.974761D+01 -0.139700D+00 -0.605125D+01
      3  -0.516466D+01  0.348205D+01 -0.779509D+00 -0.134983D+01 -0.800399D+01
      4   0.382381D+00  0.812086D+01  0.741109D+01  0.169896D+01  0.754444D+00
      5  -0.258212D+01  0.114642D+01  0.152660D+01 -0.449474D+01 -0.332226D+01
      6  -0.233574D+01  0.127240D+01 -0.242257D+01  0.337347D+01 -0.244758D+01
                26            27            28            29            30 
      1   0.626327D+00 -0.496749D+01 -0.114373D+01 -0.852161D+01 -0.330629D+01
      2   0.420206D+00  0.536038D+01  0.106176D+01  0.132446D+02 -0.956774D+00
      3  -0.104653D+01 -0.392890D+00  0.819635D-01 -0.472300D+01  0.426306D+01
      4   0.164030D+01 -0.524707D+01 -0.284599D+01 -0.135313D+02  0.211391D+01
      5  -0.473410D+01 -0.123905D+02 -0.392056D+01  0.958314D+00 -0.654689D+01
      6   0.269633D+01 -0.152653D+01  0.749459D+00 -0.794933D+00  0.101087D+02
                31            32            33            34            35 
      1  -0.535750D+01 -0.159203D+01  0.577858D-01 -0.249480D+01  0.114168D+01
      2   0.871198D+01  0.179186D+01  0.656486D+01 -0.204417D+01  0.766726D+01
      3  -0.335447D+01 -0.199826D+00 -0.662264D+01  0.453897D+01 -0.880893D+01
      4  -0.735365D+01  0.561337D+01 -0.287131D+01  0.225356D+01 -0.273530D+01
      5   0.385849D+00 -0.157802D+01  0.411620D+01 -0.426933D+01  0.780123D+01
      6  -0.269054D+01  0.795977D+01 -0.124202D+02  0.923321D+01 -0.177192D+02
                36            37            38            39            40 
      1   0.122920D+02  0.624470D+01  0.361253D+01  0.116112D+01 -0.250537D+01
      2  -0.101470D+02  0.763936D+00 -0.158442D+01  0.628232D+00  0.353253D+01
      3  -0.214508D+01 -0.700864D+01 -0.202810D+01 -0.178935D+01 -0.102716D+01
      4   0.109558D+02  0.100682D+02  0.180629D+02 -0.922439D+00  0.113820D+02
      5   0.704364D+01  0.144154D+01  0.473341D+00  0.911322D+01  0.620054D+00
      6  -0.129733D+02  0.395874D+00 -0.117871D+01 -0.165771D+01  0.484164D+00
                41            42            43            44            45 
      1  -0.155692D+02  0.119221D+01 -0.508592D+00  0.425884D+00 -0.501659D+01
      2   0.255767D+02 -0.890341D+00  0.379473D+00 -0.311985D+00  0.301953D+01
      3  -0.100075D+02 -0.301866D+00  0.129119D+00 -0.113899D+00  0.199706D+01
      4   0.876815D+01 -0.694188D+00 -0.126217D+01 -0.118985D+01  0.521066D+01
      5   0.979925D+00 -0.236320D+01  0.331158D+01  0.369875D+01 -0.140742D+01
      6  -0.544704D+00  0.105191D+02  0.150238D+01  0.917960D+01 -0.175269D+01
                46            47            48            49            50 
      1   0.975662D+02 -0.107168D+02 -0.321910D+01 -0.101946D+02  0.878636D+01
      2  -0.557550D+02  0.628200D+01  0.298799D+01  0.601754D+01 -0.668569D+00
      3  -0.418112D+02  0.443484D+01  0.231106D+00  0.417702D+01 -0.811779D+01
      4  -0.822556D+01  0.227172D+02  0.634095D+00  0.214578D+02 -0.797588D+01
      5  -0.216687D+01  0.377680D+00  0.241968D+02  0.857206D+00 -0.116320D+01
      6   0.314898D+00  0.501242D+00 -0.231495D+01 -0.650363D+00 -0.349434D+00
                51            52            53            54            55 
      1   0.755950D+00 -0.882101D+01  0.152970D+01  0.125105D+02 -0.729366D+00
      2  -0.335355D+00  0.621214D+01 -0.374316D+00 -0.116475D+02 -0.861390D+00
      3  -0.420595D+00  0.260888D+01 -0.115538D+01 -0.862990D+00  0.159076D+01
      4  -0.219892D+01  0.130302D+01 -0.322944D+01 -0.150609D+01  0.143469D+02
      5  -0.474413D+01  0.238486D+02 -0.372304D+01 -0.727013D+01  0.387103D+00
      6   0.527989D+01 -0.376553D+00  0.446937D+01  0.428130D-01 -0.174391D+01
                56            57            58            59            60 
      1  -0.323668D+01  0.552553D+00 -0.232193D+01 -0.232363D+02 -0.167814D+01
      2   0.689668D+01  0.981505D+00  0.146534D+01  0.374865D+02 -0.331552D+01
      3  -0.366000D+01 -0.153406D+01  0.856593D+00 -0.142501D+02  0.499366D+01
      4  -0.252898D+01 -0.174099D+01  0.540092D+01 -0.434134D+01  0.108463D+01
      5  -0.927824D+00  0.295977D+01  0.552711D+00  0.568339D-01 -0.216563D+01
      6   0.497277D+00  0.144450D+01  0.121700D+01 -0.209797D+01  0.974268D+01
                61            62            63            64            65 
      1   0.192817D+00 -0.572559D+00 -0.693313D+01 -0.398569D+00  0.822020D+00
      2   0.352073D+00  0.312957D+01  0.120761D+01 -0.415353D+01 -0.308806D+00
      3  -0.544890D+00 -0.255701D+01  0.572552D+01  0.455210D+01 -0.513214D+00
      4  -0.132475D+01  0.962052D+00  0.681889D-01  0.113334D+01  0.174192D+01
      5   0.298238D+01 -0.123317D+01  0.304287D+00  0.393332D+00 -0.323212D+00
      6   0.575028D+00  0.920664D+01 -0.740042D-03 -0.147265D+01  0.181714D+00
                66            67            68            69            70 
      1   0.447456D+00 -0.531593D-01 -0.376223D+01  0.957664D+00  0.169025D+01
      2  -0.525824D-01  0.513221D+00  0.146269D+00 -0.335941D+01  0.142800D+00
      3  -0.394874D+00 -0.460062D+00  0.361596D+01  0.240175D+01 -0.183305D+01
      4  -0.152758D+01  0.170956D+01 -0.387569D-01  0.686696D+00 -0.141266D+01
      5   0.638904D+01  0.337700D+00  0.388470D+00  0.122021D+00  0.555982D+01
      6   0.551894D-02  0.191798D+00 -0.207024D+01  0.639055D+01  0.603666D+00
                71            72            73            74            75 
      1   0.321108D+01 -0.209231D+02  0.689450D+00  0.266753D+01 -0.215527D+00
      2  -0.250709D+01 -0.193901D+02  0.438481D+01 -0.875587D+01  0.168241D+01
      3  -0.703987D+00  0.403132D+02 -0.507426D+01  0.608835D+01 -0.146688D+01
      4   0.145887D+01  0.158422D+01 -0.929673D+01  0.127013D+02 -0.545505D+01
      5   0.155489D+00  0.412675D+01  0.332352D+01 -0.289854D+01  0.382139D+01
      6   0.610408D+01 -0.115741D+02 -0.556501D+01  0.407360D+01 -0.466932D+01
                76            77            78            79            80 
      1   0.377122D+01 -0.148213D+02  0.513387D+01 -0.333707D+00  0.846606D+01
      2  -0.816176D+01  0.278101D+02 -0.918795D+01  0.216694D+01 -0.141958D+02
      3   0.439054D+01 -0.129888D+02  0.405407D+01 -0.183323D+01  0.572971D+01
      4   0.965685D+01 -0.142901D+02  0.492439D+01 -0.712552D+01  0.796313D+01
      5  -0.219657D+01  0.365984D+01 -0.338142D+01  0.422192D+01 -0.490528D+01
      6   0.331064D+01 -0.123259D+02  0.101378D+02 -0.582025D+01  0.142132D+02
                81            82            83            84            85 
      1  -0.775398D+01 -0.845821D+00  0.122910D+01  0.115940D+00  0.244497D+01
      2   0.742232D+01  0.254881D+00 -0.255256D+01  0.293787D+00 -0.356079D+01
      3   0.331666D+00  0.590940D+00  0.132345D+01 -0.409727D+00  0.111583D+01
      4  -0.697070D+01 -0.354618D+01  0.668219D+01  0.515900D+01  0.469955D+01
      5   0.440093D+01 -0.324483D+01  0.286587D+01  0.625736D+01  0.150396D+01
      6  -0.107685D+02  0.580470D+01 -0.235800D+01 -0.428905D+01 -0.194724D+01
                86            87            88            89            90 
      1  -0.929460D+01 -0.690177D+01  0.119140D+01 -0.110424D+02 -0.164734D+02
      2   0.108931D+02  0.632927D+01  0.110316D+01  0.825904D+01  0.305191D+01
      3  -0.159847D+01  0.572506D+00 -0.229456D+01  0.278336D+01  0.134215D+02
      4  -0.572138D+01 -0.275990D+01  0.612412D+01 -0.528773D+01 -0.720736D+01
      5  -0.308855D+01 -0.294513D+01  0.707260D+01 -0.583381D+01 -0.100667D+02
      6   0.106217D+02  0.122612D+02 -0.620295D+01  0.186178D+02  0.264670D+02
                91            92            93            94            95 
      1   0.613718D+01  0.234695D+01 -0.725890D+00 -0.765264D+00 -0.735851D+00
      2   0.284804D+01 -0.985646D+01 -0.792486D+00 -0.298851D+01  0.553286D+01
      3  -0.898522D+01  0.750951D+01  0.151838D+01  0.375377D+01 -0.479701D+01
      4  -0.201314D+02  0.148002D+02  0.225154D+01  0.736995D+01 -0.645410D+01
      5  -0.624233D+00  0.532068D+00  0.207189D+01  0.134383D+00 -0.463514D+00
      6   0.195996D+01 -0.503564D+00 -0.375486D+01 -0.619024D+00  0.389205D+00
                96            97            98            99           100 
      1   0.985009D-01 -0.171854D+00 -0.984992D+00 -0.533374D+00  0.478676D+01
      2   0.220528D+00 -0.811561D+00  0.179121D+01  0.240093D+00  0.885111D+01
      3  -0.319029D+00  0.983415D+00 -0.806220D+00  0.293280D+00 -0.136379D+02
      4  -0.830819D+00  0.295356D+01 -0.210101D+01 -0.279140D+01  0.815554D+01
      5  -0.909350D+00  0.302001D+01 -0.194575D+01 -0.795330D+00 -0.992285D+01
      6   0.213144D+01 -0.252146D+01  0.323318D+01  0.159578D+01  0.906122D+01
               101           102           103           104           105 
      1   0.884394D+01 -0.144545D+02  0.107885D+02 -0.936960D+00  0.146926D+01
      2  -0.607559D+01  0.314728D+01 -0.866020D+01 -0.567881D+00 -0.740835D+01
      3  -0.276835D+01  0.113072D+02 -0.212828D+01  0.150484D+01  0.593909D+01
      4  -0.557960D+01  0.278054D+01 -0.791938D+01 -0.112361D+02 -0.744815D+01
      5   0.929779D+01 -0.125088D+02  0.100869D+02 -0.121221D+02  0.543493D+01
      6  -0.707272D+01  0.149917D+01 -0.939242D+01 -0.129329D+02 -0.725490D+01
               106           107           108           109           110 
      1  -0.134632D+02 -0.913601D-01 -0.362601D+01 -0.114523D+02  0.161131D+02
      2   0.234973D+01 -0.625428D+01 -0.636333D+01  0.901455D+00 -0.928073D+01
      3   0.111134D+02  0.634564D+01  0.998935D+01  0.105509D+02 -0.683237D+01
      4   0.195342D+01 -0.442008D+01  0.528583D+01  0.153589D+02 -0.157776D+02
      5  -0.105783D+02  0.507162D+01  0.127054D+02 -0.165753D+02 -0.613292D+00
      6   0.201276D+01 -0.523116D+01  0.710169D+01 -0.388296D+01  0.305446D+01
               111           112           113           114           115 
      1  -0.149996D+02  0.202544D+02 -0.151927D+02  0.444426D+01 -0.200249D+02
      2   0.887576D+01 -0.139265D+02  0.292911D-01  0.261769D+00  0.865004D+01
      3   0.612384D+01 -0.632796D+01  0.151634D+02 -0.470603D+01  0.113749D+02
      4   0.145954D+01 -0.223034D+02 -0.219923D+02 -0.375792D+01  0.230314D+01
      5   0.778099D+01 -0.391870D+00 -0.221233D+01  0.641615D+01  0.649420D+01
      6   0.254017D+00  0.466350D+01  0.505894D+01  0.154430D+01  0.706951D+00
               116           117           118           119           120 
      1   0.490177D+01  0.149827D+02 -0.780485D+01 -0.227520D+01  0.128342D+02
      2  -0.934992D+00  0.666159D+01 -0.292269D+01  0.517855D+00  0.520915D+01
      3  -0.396678D+01 -0.216443D+02  0.107275D+02  0.175735D+01 -0.180434D+02
      4  -0.593178D+01  0.753594D+01 -0.129626D+01  0.113883D+01  0.260604D+00
      5   0.638697D+01  0.233792D+02 -0.111286D+02 -0.274291D+01  0.671283D+01
      6   0.165790D+01 -0.211349D+01 -0.297799D+01 -0.389635D+01  0.138062D+01
               121           122           123           124           125 
      1  -0.304561D+01 -0.361574D+01  0.302043D+01  0.916426D+01  0.192433D+01
      2   0.107104D+01  0.672128D+00  0.183560D+01  0.318169D+01  0.136674D+01
      3   0.197457D+01  0.294361D+01 -0.485603D+01 -0.123460D+02 -0.329107D+01
      4   0.196012D+01  0.104002D+01  0.980953D+00  0.472208D+00  0.584349D+00
      5  -0.305522D+01 -0.443754D+00 -0.428234D+00  0.769505D+01  0.248474D+00
      6  -0.263285D+01 -0.120204D+01  0.596102D+01  0.127270D+01  0.484052D+01
               126           127           128           129           130 
      1  -0.144649D+02  0.124828D+01  0.154216D+01  0.204737D+01  0.205297D+01
      2  -0.738652D+01 -0.859543D+00  0.429480D+00 -0.115452D+01  0.135449D+00
      3   0.218514D+02 -0.388735D+00 -0.197164D+01 -0.892843D+00 -0.218842D+01
      4  -0.100747D+01  0.438022D+01  0.754164D+01  0.208747D+01  0.915755D+01
      5  -0.520598D+01  0.466453D+01  0.368872D+01  0.526289D+01  0.592774D+01
      6  -0.266447D+01  0.300919D+01  0.442722D+01  0.204367D+01  0.631773D+01
               131           132           133           134           135 
      1  -0.877109D+01 -0.625309D+01  0.734384D+00 -0.415581D+01 -0.389509D+01
      2   0.132511D+02 -0.223133D+00 -0.820090D+00  0.898176D-01  0.582984D+00
      3  -0.448001D+01  0.647622D+01  0.857055D-01  0.406599D+01  0.331211D+01
      4   0.190829D+02  0.687099D+01  0.959731D+00  0.365483D+01  0.339621D+01
      5   0.932580D+01  0.763940D+01  0.391296D+01  0.389533D+01  0.248419D+01
      6   0.240961D+02  0.125762D+02  0.185892D+01  0.945868D+01  0.626828D+01
               136           137           138           139           140 
      1   0.185889D+02 -0.542244D+01  0.566914D+01 -0.730365D+01  0.210254D+01
      2  -0.166956D+02  0.404452D+01 -0.108917D+02  0.582665D+01 -0.136837D+01
      3  -0.189329D+01  0.137792D+01  0.522258D+01  0.147700D+01 -0.734166D+00
      4  -0.810259D+01  0.796044D+01 -0.373652D+01  0.874057D+01 -0.734254D+01
      5   0.247282D+02 -0.849192D+01  0.193006D+02 -0.115546D+02  0.951238D+01
      6  -0.731348D+01  0.723811D+01 -0.446258D+01  0.778274D+01 -0.708567D+01
               141           142           143           144           145 
      1   0.412306D+00  0.368628D+01  0.464335D+00  0.434388D+00 -0.265569D+00
      2   0.549342D+01 -0.797364D+01  0.350185D+01 -0.934925D+01 -0.225602D+01
      3  -0.590572D+01  0.428736D+01 -0.396618D+01  0.891486D+01  0.252159D+01
      4   0.556239D+01 -0.256528D+01  0.323486D+01 -0.426233D+01 -0.219717D+01
      5  -0.996849D+01  0.147987D+02 -0.613150D+01  0.140028D+02 -0.245963D+01
      6   0.743857D+01 -0.389930D+01  0.513438D+01 -0.588913D+01  0.696441D+00
               146           147           148           149           150 
      1  -0.255471D+01 -0.498386D+01 -0.394749D+01 -0.837967D+00 -0.186874D+01
      2   0.141382D+01  0.194660D+01  0.264055D+01 -0.619573D+00 -0.153878D+01
      3   0.114089D+01  0.303725D+01  0.130694D+01  0.145754D+01  0.340752D+01
      4   0.180313D+01 -0.194120D+00  0.395614D+01  0.231299D+00 -0.458425D+01
      5   0.603326D+00  0.466912D+01  0.179788D+01 -0.428437D+01 -0.459830D+01
      6   0.412623D+00  0.721337D-01 -0.104134D+01  0.126315D+01  0.608266D+01
               151           152           153           154           155 
      1  -0.620443D+01 -0.180657D+01 -0.153468D+02  0.513632D+02 -0.154312D+02
      2   0.642637D+01 -0.802679D+00 -0.187147D+02 -0.238244D+02  0.633561D+01
      3  -0.221936D+00  0.260925D+01  0.340615D+02 -0.275388D+02  0.909564D+01
      4  -0.570898D+00 -0.503366D+01 -0.358399D+01 -0.166654D+02  0.143373D+02
      5   0.119426D+02 -0.276427D+01 -0.383979D+02  0.236653D+00 -0.234801D+00
      6   0.211564D+00  0.601369D+01  0.406215D+00  0.272050D+01 -0.237815D+01
               156           157           158           159           160 
      1   0.627976D+01 -0.229855D+02  0.124783D+02 -0.203110D+01  0.147013D+02
      2  -0.226466D+01  0.982722D+01 -0.175569D+01 -0.309784D+00 -0.645954D+01
      3  -0.401510D+01  0.131583D+02 -0.107226D+02  0.234089D+01 -0.824172D+01
      4  -0.211109D+01  0.184205D+02 -0.128013D+02  0.288470D+01 -0.390366D+01
      5   0.713826D+01  0.972634D+00  0.112046D+01 -0.624002D+01  0.731668D+01
      6  -0.246381D+00 -0.259119D+01  0.121892D+01  0.116426D+01 -0.634128D+00
               161           162           163           164           165 
      1  -0.324053D+01  0.491504D+01  0.119216D+02  0.711938D+01  0.141008D+01
      2   0.563657D+00 -0.410713D+01 -0.236279D+01 -0.924430D+00 -0.643314D+00
      3   0.267687D+01 -0.807917D+00 -0.955878D+01 -0.619495D+01 -0.766768D+00
      4   0.513268D+01 -0.458898D+01  0.104308D+02  0.149016D+02 -0.517285D+00
      5  -0.430183D+01  0.304433D+01 -0.472048D+00 -0.181999D+01  0.203833D+01
      6   0.732348D+00 -0.220164D+00 -0.170948D+01 -0.266169D+01  0.896893D+00
               166           167           168           169           170 
      1   0.110768D+02  0.384931D+01 -0.633482D+00  0.476740D+01  0.402848D+00
      2  -0.666608D+00  0.131060D+02  0.140900D+01 -0.143704D+01  0.130625D+01
      3  -0.104102D+02 -0.169553D+02 -0.775519D+00 -0.333036D+01 -0.170910D+01
      4   0.218395D+02  0.371297D+02 -0.807309D+00  0.118279D+01  0.268569D+01
      5  -0.398006D+01 -0.174859D+01  0.698910D+01  0.298920D+01  0.467411D+01
      6  -0.422618D+01 -0.928587D+01  0.457342D+01  0.167712D+01  0.370202D+01
               171 
      1  -0.972260D+00
      2   0.112073D+00
      3   0.860187D+00
      4   0.432371D+01
      5  -0.176127D+01
      6  -0.267061D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.135843D+01      0.345279D+01      0.115173D+02
   y         -0.317516D+00     -0.807046D+00     -0.269202D+01
   z         -0.285117D+00     -0.724696D+00     -0.241732D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.874530D+02      0.129592D+02      0.144191D+02
   yx        -0.441639D+01     -0.654442D+00     -0.728165D+00
   yy         0.759243D+02      0.112508D+02      0.125182D+02
   zx        -0.164996D+01     -0.244499D+00     -0.272041D+00
   zy         0.102113D+01      0.151316D+00      0.168362D+00
   zz         0.690442D+02      0.102313D+02      0.113839D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808023D+02      0.119737D+02      0.133225D+02
   aniso      0.182515D+02      0.270459D+01      0.300927D+01
   xx         0.909881D+02      0.134830D+02      0.150019D+02
   yx        -0.431146D+01     -0.638892D+00     -0.710864D+00
   yy         0.790727D+02      0.117174D+02      0.130373D+02
   zx        -0.166861D+01     -0.247262D+00     -0.275116D+00
   zy         0.736350D+00      0.109116D+00      0.121408D+00
   zz         0.723462D+02      0.107206D+02      0.119283D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.94103562          0.86388277         -2.35731975
     6         -0.86959382         -1.33509449         -0.51013114
     6          0.45218469         -0.16747517          1.79877613
     6         -0.65426591          2.51819149          1.61728031
     8         -0.92373926          3.05279597         -1.06020152
     8         -0.96263266          0.71670742         -4.61712433
     8          0.28753686         -3.48191667         -1.53686852
     1         -2.84421426         -1.75092919          0.00360528
     1          0.57324430          3.96495452          2.40928737
     1         -2.51950098          2.64792166          2.49151109
     1          0.19548180         -3.32322763         -3.35795928
     6          3.31902160         -0.11001603          1.41659827
     6         -0.23119251         -1.46218598          4.27766233
     1          3.84121063          0.89851406         -0.30523719
     1          4.06280593         -2.02237814          1.27290475
     1          4.22411125          0.83408465          3.01124771
     1         -2.27539114         -1.53576762          4.54844518
     1          0.59446717         -0.46386802          5.88455571
     1          0.48775168         -3.39383512          4.29799428

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.142388D+01      0.361915D+01      0.120722D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.695417D+02      0.103050D+02      0.114659D+02
   yx        -0.149906D+01     -0.222138D+00     -0.247162D+00
   yy         0.741375D+02      0.109860D+02      0.122236D+02
   zx         0.178819D+01      0.264983D+00      0.294833D+00
   zy         0.195757D+01      0.290082D+00      0.322759D+00
   zz         0.887423D+02      0.131503D+02      0.146316D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808023D+02      0.119737D+02      0.133225D+02
   aniso      0.182515D+02      0.270459D+01      0.300927D+01
   xx         0.727565D+02      0.107814D+02      0.119959D+02
   yx        -0.125923D+01     -0.186599D+00     -0.207619D+00
   yy         0.774646D+02      0.114791D+02      0.127722D+02
   zx         0.191471D+01      0.283731D+00      0.315694D+00
   zy         0.174838D+01      0.259083D+00      0.288269D+00
   zz         0.921859D+02      0.136605D+02      0.151994D+02

 ----------------------------------------------------------------------
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 The impersonal hand of government can
 never replace the helping hand of a neighbor.
                        -- Hubert H. Humphrey
 Job cpu time:       0 days  4 hours  7 minutes 24.8 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 30.1 seconds.
 File lengths (MBytes):  RWF=    230 Int=      0 D2E=      0 Chk=     11 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 16:27:05 2021.
